N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

C18H17ClN4OS — CID 54217612

IUPACN-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCc1ccnc(Nc2nc(C(=O)Nc3c(C)cccc3Cl)cs2)c1
InChIInChI=1S/C18H17ClN4OS/c1-3-12-7-8-20-15(9-12)22-18-21-14(10-25-18)17(24)23-16-11(2)5-4-6-13(16)19/h4-10H,3H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyQAHXWJKFBPQSAO-UHFFFAOYSA-N
MW372.88 g/mol
LogP5.06
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 54217612) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID54217612
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCc1ccnc(Nc2nc(C(=O)Nc3c(C)cccc3Cl)cs2)c1
InChIInChI=1S/C18H17ClN4OS/c1-3-12-7-8-20-15(9-12)22-18-21-14(10-25-18)17(24)23-16-11(2)5-4-6-13(16)19/h4-10H,3H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyQAHXWJKFBPQSAO-UHFFFAOYSA-N
XLogP5.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.88
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide
CID 91531122
N-(2,6-dimethylphenyl)-2-[(6-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 54273764
N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide
CID 54309100
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023890
N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 66254887
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 66256413
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
4-amino-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 62153378
ethyl 4-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697663

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 54217612) is N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is CCc1ccnc(Nc2nc(C(=O)Nc3c(C)cccc3Cl)cs2)c1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is QAHXWJKFBPQSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-3-12-7-8-20-15(9-12)22-18-21-14(10-25-18)17(24)23-16-11(2)5-4-6-13(16)19/h4-10H,3H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 54217612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).