2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide

C17H12ClN3O2S — CID 16915094

IUPAC2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccccc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2S/c18-12-8-6-11(7-9-12)15(22)21-17-20-14(10-24-17)16(23)19-13-4-2-1-3-5-13/h1-10H,(H,19,23)(H,20,21,22)
InChIKeyWSPIYYXYYQMRCT-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.30
Rot. Bonds4

About 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide

2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 16915094) has the molecular formula C17H12ClN3O2S and a molecular weight of 357.82 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID16915094
Molecular FormulaC17H12ClN3O2S
Molecular Weight357.82 g/mol
Exact Mass357.03
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccccc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2S/c18-12-8-6-11(7-9-12)15(22)21-17-20-14(10-24-17)16(23)19-13-4-2-1-3-5-13/h1-10H,(H,19,23)(H,20,21,22)
InChIKeyWSPIYYXYYQMRCT-UHFFFAOYSA-N
XLogP4.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
2-[(4-chlorobenzoyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915082
N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915145
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915083
N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 16915047

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide (CID 16915094) is 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)Nc2ccccc2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is WSPIYYXYYQMRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S/c18-12-8-6-11(7-9-12)15(22)21-17-20-14(10-24-17)16(23)19-13-4-2-1-3-5-13/h1-10H,(H,19,23)(H,20,21,22).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide?
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 357.82 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).