ALA4859984Name:
5-(3-methoxybenzyl)thiazol-2-amineCas Number:
893724-15-7Mol. Formula:
C11H12N2OSM.W.:
220.30Type:
UnknownAlogP:
2.32Polar Surface Area:
48.14HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
Type:
UnknownAlogP:
5.44Polar Surface Area:
66.23HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA4856944Name:
5-(3-(trifluoromethyl)benzyl)thiazol-2-amineCas Number:
300819-51-6Mol. Formula:
C11H9F3N2SM.W.:
258.27Type:
UnknownAlogP:
3.33Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.90DETAILS
ALA4856857Name:
5-(2-bromobenzyl)thiazol-2-amineCas Number:
926258-87-9Mol. Formula:
C10H9BrN2SM.W.:
269.17Type:
UnknownAlogP:
3.08Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS
ALA4856082Name:
5-(2-(trifluoromethyl)benzyl)thiazol-2-amineCas Number:
937628-90-5Mol. Formula:
C11H9F3N2SM.W.:
258.27Type:
UnknownAlogP:
3.33Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.90DETAILS- ALA4879031
Name:
5-(4-methylbenzyl)thiazol-2-amineCas Number:
299953-94-9Mol. Formula:
C11H12N2SM.W.:
204.30Type:
UnknownAlogP:
2.62Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.82DETAILS -
Type:
UnknownAlogP:
2.98Polar Surface Area:
55.98HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4874873
Name:
5-(3-bromobenzyl)thiazol-2-amineCas Number:
923737-16-0Mol. Formula:
C10H9BrN2SM.W.:
269.17Type:
UnknownAlogP:
3.08Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4847997
Name:
5-(4-(trifluoromethyl)benzyl)thiazol-2-amineCas Number:
923813-54-1Mol. Formula:
C11H9F3N2SM.W.:
258.27Type:
UnknownAlogP:
3.33Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
UnknownAlogP:
2.22Polar Surface Area:
82.05HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4846833
Name:
3-((2-aminothiazol-5-yl)methyl)benzonitrileCas Number:
937628-94-9Mol. Formula:
C11H9N3SM.W.:
215.28Type:
UnknownAlogP:
2.19Polar Surface Area:
62.70HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
UnknownAlogP:
3.45Polar Surface Area:
41.99HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS -
Type:
UnknownAlogP:
3.34Polar Surface Area:
48.14HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA4855917
Name:
(2-aminothiazol-5-yl)(4-bromophenyl)methanoneCas Number:
27053-25-4Mol. Formula:
C10H7BrN2OSM.W.:
283.15Type:
UnknownAlogP:
2.72Polar Surface Area:
55.98HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4854093
Name:
5-(pyridin-4-ylmethyl)thiazol-2-amineCas Number:
1498119-01-9Mol. Formula:
C9H9N3SM.W.:
191.26Type:
UnknownAlogP:
1.71Polar Surface Area:
51.80HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4853895
Name:
5-(3-methylbenzyl)thiazol-2-amineCas Number:
300827-54-7Mol. Formula:
C11H12N2SM.W.:
204.30Type:
UnknownAlogP:
2.62Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.82DETAILS - ALA4853616
Name:
5-(pyridin-3-ylmethyl)thiazol-2-amineCas Number:
1169490-36-1Mol. Formula:
C9H9N3SM.W.:
191.26Type:
UnknownAlogP:
1.71Polar Surface Area:
51.80HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4871988
Name:
4-((2-aminothiazol-5-yl)methyl)benzonitrileCas Number:
926253-88-5Mol. Formula:
C11H9N3SM.W.:
215.28Type:
UnknownAlogP:
2.19Polar Surface Area:
62.70HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4869924
Name:
5-(3-chlorobenzyl)thiazol-2-amineCas Number:
313960-06-4Mol. Formula:
C10H9ClN2SM.W.:
224.72Type:
UnknownAlogP:
2.97Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.85DETAILS - ALA4850988
Name:
5-(2-methylbenzyl)thiazol-2-amineCas Number:
926246-11-9Mol. Formula:
C11H12N2SM.W.:
204.30Type:
UnknownAlogP:
2.62Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.82DETAILS
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