2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide

C16H12ClN3OS — CID 52895835

IUPAC2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide
SMILESCc1csc(N(C(=O)c2cccnc2Cl)c2ccccc2)n1
InChIInChI=1S/C16H12ClN3OS/c1-11-10-22-16(19-11)20(12-6-3-2-4-7-12)15(21)13-8-5-9-18-14(13)17/h2-10H,1H3
InChIKeyVMUGJSOAYWLUGH-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.48
Rot. Bonds3

About 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide (PubChem CID 52895835) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide
PubChem CID52895835
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide
SMILESCc1csc(N(C(=O)c2cccnc2Cl)c2ccccc2)n1
InChIInChI=1S/C16H12ClN3OS/c1-11-10-22-16(19-11)20(12-6-3-2-4-7-12)15(21)13-8-5-9-18-14(13)17/h2-10H,1H3
InChIKeyVMUGJSOAYWLUGH-UHFFFAOYSA-N
XLogP4.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide
CID 75415495
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CID 9110040
2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide
CID 99807622
2,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
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N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733
2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide
CID 78778238
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide
CID 43032454
N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide
CID 51180502
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
5-ethoxy-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitro-N-phenylbenzamide
CID 34053297
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide (CID 52895835) is 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide is Cc1csc(N(C(=O)c2cccnc2Cl)c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide?
The InChIKey is VMUGJSOAYWLUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c1-11-10-22-16(19-11)20(12-6-3-2-4-7-12)15(21)13-8-5-9-18-14(13)17/h2-10H,1H3.
What are the key properties of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide?
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 52895835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).