3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide

C17H14ClN3O2S — CID 58930781

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3csc(N)n3)c2)cc1Cl
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-6-5-12(8-13(15)18)20-16(22)11-4-2-3-10(7-11)14-9-24-17(19)21-14/h2-9H,1H3,(H2,19,21)(H,20,22)
InChIKeyMQBVJMGIUJJGKK-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.31
Rot. Bonds4

About 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide

3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide (PubChem CID 58930781) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
PubChem CID58930781
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3csc(N)n3)c2)cc1Cl
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-6-5-12(8-13(15)18)20-16(22)11-4-2-3-10(7-11)14-9-24-17(19)21-14/h2-9H,1H3,(H2,19,21)(H,20,22)
InChIKeyMQBVJMGIUJJGKK-UHFFFAOYSA-N
XLogP4.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 89145903
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
CID 23102404
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375078
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110356068
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939
1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050788

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide (CID 58930781) is 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cccc(-c3csc(N)n3)c2)cc1Cl.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide?
The InChIKey is MQBVJMGIUJJGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-23-15-6-5-12(8-13(15)18)20-16(22)11-4-2-3-10(7-11)14-9-24-17(19)21-14/h2-9H,1H3,(H2,19,21)(H,20,22).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide?
3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide has a molecular weight of 359.84 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide is sourced from PubChem (CID 58930781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).