Compounds

Type:
---

AlogP:
1.74

Polar Surface Area:
100.11

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5207537

Name:
2-(4-((2-Acetamidothiazol-5-yl)methyl)-3-methylpiperazin-1-yl)-N-(4-benzylpShow More⌵

Mol. Formula:
C26H31N5O2S

M.W.:
477.63

5 activity values

4 unique targets

Type:
---

AlogP:
3.84

Polar Surface Area:
77.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5205031

Name:
1-((2-Acetamidothiazol-5-yl)methyl)-N-benzylpiperidine-4-carboxamide

Mol. Formula:
C19H24N4O2S

M.W.:
372.49

Type:
---

AlogP:
2.63

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5202918

Name:
2-(1-((2-Acetamidothiazol-5-yl)methyl)piperidin-4-ylidene)-N-(4-methoxyphenShow More⌵

Mol. Formula:
C20H24N4O3S

M.W.:
400.50

Type:
---

AlogP:
3.27

Polar Surface Area:
83.56

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5201343

Name:
2-(1-((2-Acetamidothiazol-5-yl)methyl)piperidin-4-ylidene)-N-(4-isopropylphShow More⌵

Mol. Formula:
C22H28N4O2S

M.W.:
412.56

Type:
---

AlogP:
4.39

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5200055

Name:
2-(4-((2-Acetamidothiazol-5-yl)methyl)piperazin-1-yl)-N-(4-(4-acetylpiperazShow More⌵

Mol. Formula:
C24H33N7O3S

M.W.:
499.64

Type:
---

AlogP:
1.53

Polar Surface Area:
101.12

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5199554

Name:
1-((2-Acetamidothiazol-5-yl)methyl)-N-cyclohexylpiperidine-4-carboxamide

Mol. Formula:
C18H28N4O2S

M.W.:
364.52

Type:
---

AlogP:
2.76

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5199464

Name:
1-((2-Acetamidothiazol-5-yl)methyl)-N-cyclohexyl)piperidine-3-carboxamide

Mol. Formula:
C18H28N4O2S

M.W.:
364.52

Type:
---

AlogP:
2.76

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5199134

Name:
2-(4-((2-Acetamidothiazol-5-yl)methyl)piperazin-1-yl)-N-cyclohexylacetamide

Mol. Formula:
C18H29N5O2S

M.W.:
379.53

Type:
---

AlogP:
1.67

Polar Surface Area:
77.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5198077

Name:
2-(4-((2-Acetamidothiazol-5-yl)methyl)piperazin-1-yl)-N-(5-methylpyridin-2-Show More⌵

Mol. Formula:
C18H24N6O2S

M.W.:
388.50

Type:
---

AlogP:
1.56

Polar Surface Area:
90.46

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5197958

Name:
2-(4-((2-Acetamidothiazol-5-yl)methyl)piperazin-1-yl)-N-(quinolin-6-yl)acetShow More⌵

Mol. Formula:
C21H24N6O2S

M.W.:
424.53

Type:
---

AlogP:
2.41

Polar Surface Area:
90.46

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5196826

Name:
2-(4-((2-acetamidothiazol-5-yl)methyl)piperazin-1-yl)-N-(quinoxalin-6-yl)acShow More⌵

Mol. Formula:
C20H23N7O2S

M.W.:
425.52

Type:
---

AlogP:
1.80

Polar Surface Area:
103.35

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5195515

Name:
2-(1-((2-Acetamidothiazol-5-yl)methyl)piperidin-4-ylidene)-N-(4-chlorophenyShow More⌵

Mol. Formula:
C19H21ClN4O2S

M.W.:
404.92

Type:
---

AlogP:
3.92

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5195331

Name:
2-(4-((2-Acetamidothiazol-5-yl)methyl)piperazin-1-yl)-N-(m-tolyl)acetamide

Mol. Formula:
C19H25N5O2S

M.W.:
387.51

Type:
---

AlogP:
2.17

Polar Surface Area:
77.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5194370

Name:
2-(1-((2-Acetamidothiazol-5-yl)methyl)piperidin-4-ylidene)-N-cyclohexylacetShow More⌵

Mol. Formula:
C19H28N4O2S

M.W.:
376.53

Type:
---

AlogP:
3.07

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5193589

Name:
2-(1-((2-Acetamidothiazol-5-yl)methyl)piperidin-4-ylidene)-N-(4-methoxybenzShow More⌵

Mol. Formula:
C21H26N4O3S

M.W.:
414.53

5 activity values

4 unique targets

Type:
---

AlogP:
2.95

Polar Surface Area:
83.56

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5192446

Name:
2-(4-((2-Acetamidothiazol-5-yl)methyl)piperazin-1-yl)-N-(4-fluorophenyl)aceShow More⌵

Mol. Formula:
C18H22FN5O2S

M.W.:
391.47

Type:
---

AlogP:
2.00

Polar Surface Area:
77.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5190784

Name:
2-(4-((2-Acetamidothiazol-5-yl)methyl)piperazin-1-yl)-N-phenylacetamide

Mol. Formula:
C18H23N5O2S

M.W.:
373.48

Type:
---

AlogP:
1.86

Polar Surface Area:
77.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5189818

Name:
2-(4-((2-Acetamidothiazol-5-yl)methyl)piperazin-1-yl)-N-(3-methoxyphenyl)acShow More⌵

Mol. Formula:
C19H25N5O3S

M.W.:
403.51