N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide

C19H16ClN5OS — CID 91531122

IUPACN-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1csc(Nc2ccc3c(c2)ncn3C)n1
InChIInChI=1S/C19H16ClN5OS/c1-11-4-3-5-13(20)17(11)24-18(26)15-9-27-19(23-15)22-12-6-7-16-14(8-12)21-10-25(16)2/h3-10H,1-2H3,(H,22,23)(H,24,26)
InChIKeyLUJZEMWKPOSBEP-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.99
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 91531122) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide
PubChem CID91531122
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1csc(Nc2ccc3c(c2)ncn3C)n1
InChIInChI=1S/C19H16ClN5OS/c1-11-4-3-5-13(20)17(11)24-18(26)15-9-27-19(23-15)22-12-6-7-16-14(8-12)21-10-25(16)2/h3-10H,1-2H3,(H,22,23)(H,24,26)
InChIKeyLUJZEMWKPOSBEP-UHFFFAOYSA-N
XLogP4.99
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 54217612
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393
N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide
CID 54309100
3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 112527462
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 66256413
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955416
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
N-(2,6-dimethylphenyl)-2-[(6-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 54273764
N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
CID 141229709
N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide (CID 91531122) is N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide is Cc1cccc(Cl)c1NC(=O)c1csc(Nc2ccc3c(c2)ncn3C)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is LUJZEMWKPOSBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-11-4-3-5-13(20)17(11)24-18(26)15-9-27-19(23-15)22-12-6-7-16-14(8-12)21-10-25(16)2/h3-10H,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 397.89 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91531122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).