Compounds

ALA5266959

Name:
Rac-N-[1-(methoxymethyl)-2-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C17H21N5O5S

M.W.:
407.45

Type:
---

AlogP:
1.76

Polar Surface Area:
136.35

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5266408

Name:
Rac-N-[2-methyl-1-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoShow More⌵

Mol. Formula:
C20H25N5O4S

M.W.:
431.52

Type:
---

AlogP:
3.31

Polar Surface Area:
127.12

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5266176

Name:
N-[(1R)-1-[[5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-2-hyShow More⌵

Mol. Formula:
C23H26F3N5O3S

M.W.:
509.55

Type:
---

AlogP:
3.71

Polar Surface Area:
128.00

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5280287

Name:
N-[(1R)-2-[[5-[(4-cyanophenyl)methyl]-4-methyl-thiazol-2-yl]amino]-1-(methoShow More⌵

Mol. Formula:
C24H30N4O3S

M.W.:
454.60

Type:
---

AlogP:
3.95

Polar Surface Area:
104.11

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5279700

Name:
N-[(1R)-2-[[2-[(4-cyanophenyl)methyl]-4-methyl-thiazol-5-yl]amino]-1-(methoShow More⌵

Mol. Formula:
C24H30N4O3S

M.W.:
454.60

Type:
---

AlogP:
3.95

Polar Surface Area:
104.11

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5279102

Name:
N-[(1R)-1-[[5-((4-Cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]1-3-mShow More⌵

Mol. Formula:
C24H28F3N5O2S

M.W.:
507.58

Type:
---

AlogP:
4.98

Polar Surface Area:
107.77

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5278034

Name:
Rac-N-[1-(methoxymethyl)-2-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C20H25N5O5S

M.W.:
447.52

Type:
---

AlogP:
2.69

Polar Surface Area:
136.35

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5277351

Name:
N-[(1R)-2-[[5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-(methoShow More⌵

Mol. Formula:
C23H29N5O3S

M.W.:
455.58

Type:
---

AlogP:
3.43

Polar Surface Area:
117.00

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5275910

Name:
N-[(1R)-1-(methoxymethyl)-2-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-Show More⌵

Mol. Formula:
C21H27N5O5S

M.W.:
461.54

Type:
---

AlogP:
3.08

Polar Surface Area:
136.35

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5275560

Name:
N-[(1R)-2-[[5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-(methoShow More⌵

Mol. Formula:
C22H27N5O3S

M.W.:
441.56

Type:
---

AlogP:
3.04

Polar Surface Area:
117.00

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5274527

Name:
Rac-N-[1-(methoxymethyl)-2-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C21H27N5O5S

M.W.:
461.54

Type:
---

AlogP:
3.08

Polar Surface Area:
136.35

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5273043

Name:
Rac-N-[1-methyl-2-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-Show More⌵

Mol. Formula:
C18H21N5O4S

M.W.:
403.46

Type:
---

AlogP:
2.67

Polar Surface Area:
127.12

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5286335

Name:
N-[(1R)-2-[[5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-(hydroShow More⌵

Mol. Formula:
C21H22F3N5O3S

M.W.:
481.50

Type:
---

AlogP:
2.93

Polar Surface Area:
128.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5285026

Name:
(2S)-N-{5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-methyl-2-{[1-(trShow More⌵

Mol. Formula:
C24H28F3N5O2S

M.W.:
507.58

Type:
---

AlogP:
4.98

Polar Surface Area:
107.77

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5284472

Name:
N-[(1R)-2-[[5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-(methoShow More⌵

Mol. Formula:
C22H27N5O4S

M.W.:
457.56

Type:
---

AlogP:
2.42

Polar Surface Area:
126.23

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5269490

Name:
Rac-N-[1-(methoxymethyl)-2-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C20H19N5O5S

M.W.:
441.47

Type:
---

AlogP:
2.42

Polar Surface Area:
136.35

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5269199

Name:
Rac-N-[1-(methoxymethyl)-2-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C19H23N5O6S

M.W.:
449.49

Type:
---

AlogP:
1.53

Polar Surface Area:
145.58

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5269090

Name:
Rac-N-[1-(methoxymethyl)-2-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C19H23N5O5S

M.W.:
433.49

Type:
---

AlogP:
2.30

Polar Surface Area:
136.35

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5268828

Name:
N-[(1R)-2-[[5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-cyclopShow More⌵

Mol. Formula:
C25H28F3N5O2S

M.W.:
519.59

Type:
---

AlogP:
5.13

Polar Surface Area:
107.77

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5267932

Name:
N-[(1R)-2-[[5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-(methoShow More⌵

Mol. Formula:
C22H25F2N5O3S

M.W.:
477.54

Type:
---

AlogP:
3.29

Polar Surface Area:
117.00

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS