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

C18H14ClN3O2S — CID 26467798

IUPAC2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H14ClN3O2S/c1-20-16(23)11-4-8-14(9-5-11)21-17(24)15-10-25-18(22-15)12-2-6-13(19)7-3-12/h2-10H,1H3,(H,20,23)(H,21,24)
InChIKeyULAOVJZMLKRJCR-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.08
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 26467798) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID26467798
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H14ClN3O2S/c1-20-16(23)11-4-8-14(9-5-11)21-17(24)15-10-25-18(22-15)12-2-6-13(19)7-3-12/h2-10H,1H3,(H,20,23)(H,21,24)
InChIKeyULAOVJZMLKRJCR-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

N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46539769
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55865804
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36769984
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 58505492

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 26467798) is 2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ULAOVJZMLKRJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-20-16(23)11-4-8-14(9-5-11)21-17(24)15-10-25-18(22-15)12-2-6-13(19)7-3-12/h2-10H,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[4-(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-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 26467798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).