2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide

C24H16ClN5O2S2 — CID 174577127

IUPAC2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1csc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C24H16ClN5O2S2/c25-17-9-5-4-8-16(17)21(31)30-24-28-20(13-33-24)22(32)29-23-26-18-11-10-15(12-19(18)27-23)34-14-6-2-1-3-7-14/h1-13H,(H,28,30,31)(H2,26,27,29,32)
InChIKeyPGZQMSWLUOPJJM-UHFFFAOYSA-N
MW506.01 g/mol
LogP6.33
Rot. Bonds6

About 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide

2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 174577127) has the molecular formula C24H16ClN5O2S2 and a molecular weight of 506.01 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID174577127
Molecular FormulaC24H16ClN5O2S2
Molecular Weight506.01 g/mol
Exact Mass505.04
IUPAC Name2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1csc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C24H16ClN5O2S2/c25-17-9-5-4-8-16(17)21(31)30-24-28-20(13-33-24)22(32)29-23-26-18-11-10-15(12-19(18)27-23)34-14-6-2-1-3-7-14/h1-13H,(H,28,30,31)(H2,26,27,29,32)
InChIKeyPGZQMSWLUOPJJM-UHFFFAOYSA-N
XLogP6.33
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.01
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 70679287
2-[(2-chlorobenzoyl)amino]-N-hydroxy-1,3-thiazole-4-carboxamide
CID 156904198
methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
CID 23190345
[6-[4-(phenylcarbamoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 22022416
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
methyl N-[6-(4-acetamidophenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 13484916
N-(1H-benzimidazol-2-yl)-5-nitro-2-phenylsulfanylbenzamide
CID 4554300
N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide
CID 86689618
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27649612
methyl N-[6-(3-thiocyanatophenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 88846458

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide (CID 174577127) is 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1csc(NC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PGZQMSWLUOPJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O2S2/c25-17-9-5-4-8-16(17)21(31)30-24-28-20(13-33-24)22(32)29-23-26-18-11-10-15(12-19(18)27-23)34-14-6-2-1-3-7-14/h1-13H,(H,28,30,31)(H2,26,27,29,32).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide?
2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 506.01 g/mol, XLogP of 6.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 174577127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).