2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide

C19H14ClN5OS — CID 137372065

IUPAC2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14ClN5OS/c20-13-6-8-14(9-7-13)21-19-22-16(11-27-19)18(26)23-17-10-15(24-25-17)12-4-2-1-3-5-12/h1-11H,(H,21,22)(H2,23,24,25,26)
InChIKeyUJBMOXYIYFLWLA-UHFFFAOYSA-N
MW395.88 g/mol
LogP5.18
Rot. Bonds5

About 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide

2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 137372065) has the molecular formula C19H14ClN5OS and a molecular weight of 395.88 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID137372065
Molecular FormulaC19H14ClN5OS
Molecular Weight395.88 g/mol
Exact Mass395.06
IUPAC Name2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14ClN5OS/c20-13-6-8-14(9-7-13)21-19-22-16(11-27-19)18(26)23-17-10-15(24-25-17)12-4-2-1-3-5-12/h1-11H,(H,21,22)(H2,23,24,25,26)
InChIKeyUJBMOXYIYFLWLA-UHFFFAOYSA-N
XLogP5.18
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.88
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372046
4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine
CID 139405714
(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
CID 118731079
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791509
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 137372065) is 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cc(-c2ccccc2)[nH]n1)c1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is UJBMOXYIYFLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5OS/c20-13-6-8-14(9-7-13)21-19-22-16(11-27-19)18(26)23-17-10-15(24-25-17)12-4-2-1-3-5-12/h1-11H,(H,21,22)(H2,23,24,25,26).
What are the key properties of 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 395.88 g/mol, XLogP of 5.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137372065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).