Compounds

ALA5086997

Name:
N-(5-Chloro-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimiShow More⌵

Mol. Formula:
C16H15ClFN5

M.W.:
331.78

8 activity values

6 unique targets

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5078247

Name:
N-(3-Chloro-4-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimiShow More⌵

Mol. Formula:
C16H15ClFN5

M.W.:
331.78

8 activity values

6 unique targets

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

WAY-300488

Name:
5-(4-methylbenzyl)thiazol-2-amine

Mol. Formula:
C11H12N2S

M.W.:
204.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA4878346

Name:
(2-aminothiazol-5-yl)(4-(trifluoromethyl)phenyl)methanone

Mol. Formula:
C11H7F3N2OS

M.W.:
272.25

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
55.98

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4874873

Name:
5-(3-bromobenzyl)thiazol-2-amine

Mol. Formula:
C10H9BrN2S

M.W.:
269.17

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4873345

Name:
N-(5-(4-bromobenzyl)thiazol-2-yl)-2-chloroacetamide

Mol. Formula:
C12H10BrClN2OS

M.W.:
345.65

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4873221

Name:
5-(2-methoxybenzyl)thiazol-2-amine

Mol. Formula:
C11H12N2OS

M.W.:
220.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
48.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4871988

Name:
4-((2-aminothiazol-5-yl)methyl)benzonitrile

Mol. Formula:
C11H9N3S

M.W.:
215.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
62.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4869924

Name:
5-(3-chlorobenzyl)thiazol-2-amine

Mol. Formula:
C10H9ClN2S

M.W.:
224.72

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.85

DETAILS

ALA4868107

Name:
5-(2-chlorobenzyl)thiazol-2-amine

Mol. Formula:
C10H9ClN2S

M.W.:
224.72

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.85

DETAILS

ALA4866982

Name:
2-((2-aminothiazol-5-yl)methyl)benzonitrile

Mol. Formula:
C11H9N3S

M.W.:
215.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
62.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4865627

Name:
N-(5-(4-bromobenzyl)thiazol-2-yl)acetamide

Mol. Formula:
C12H11BrN2OS

M.W.:
311.20

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4863111

Name:
5-(3-methoxy-5-(trifluoromethyl)benzyl)thiazol-2-amine

Mol. Formula:
C12H11F3N2OS

M.W.:
288.29

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
48.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4859984

Name:
5-(3-methoxybenzyl)thiazol-2-amine

Mol. Formula:
C11H12N2OS

M.W.:
220.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
48.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4859302

Name:
4-chloro-7-(trifluoromethyl)-10H-benzofuro[3,2-b]indole-1-carboxylic acid

Mol. Formula:
C16H7ClF3NO3

M.W.:
353.68

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.44

Polar Surface Area:
66.23

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4856944

Name:
5-(3-(trifluoromethyl)benzyl)thiazol-2-amine

Mol. Formula:
C11H9F3N2S

M.W.:
258.27

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4856857

Name:
5-(2-bromobenzyl)thiazol-2-amine

Mol. Formula:
C10H9BrN2S

M.W.:
269.17

8 activity values

2 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4856082

Name:
5-(2-(trifluoromethyl)benzyl)thiazol-2-amine

Mol. Formula:
C11H9F3N2S

M.W.:
258.27

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4855917

Name:
(2-aminothiazol-5-yl)(4-bromophenyl)methanone

Mol. Formula:
C10H7BrN2OS

M.W.:
283.15

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
55.98

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4854093

Name:
5-(pyridin-4-ylmethyl)thiazol-2-amine

Mol. Formula:
C9H9N3S

M.W.:
191.26

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
51.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS