2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C18H14ClN3O2S — CID 24670372

IUPAC2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN3O2S/c1-20-16(23)13-4-2-3-5-14(13)21-17(24)15-10-25-18(22-15)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,23)(H,21,24)
InChIKeyFCWGNYHOMRSWPS-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.08
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 24670372) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID24670372
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN3O2S/c1-20-16(23)13-4-2-3-5-14(13)21-17(24)15-10-25-18(22-15)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,23)(H,21,24)
InChIKeyFCWGNYHOMRSWPS-UHFFFAOYSA-N
XLogP4.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 99812136
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27142592
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
CID 41450831
N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78824310
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815
N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 71852717

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 24670372) is 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FCWGNYHOMRSWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-20-16(23)13-4-2-3-5-14(13)21-17(24)15-10-25-18(22-15)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24670372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).