N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C16H12ClN3OS — CID 110650067

IUPACN-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H12ClN3OS/c1-10-4-5-12(17)7-13(10)19-15(21)14-9-22-16(20-14)11-3-2-6-18-8-11/h2-9H,1H3,(H,19,21)
InChIKeyKKRLXYOHOFYVJC-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.42
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 110650067) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID110650067
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC NameN-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H12ClN3OS/c1-10-4-5-12(17)7-13(10)19-15(21)14-9-22-16(20-14)11-3-2-6-18-8-11/h2-9H,1H3,(H,19,21)
InChIKeyKKRLXYOHOFYVJC-UHFFFAOYSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110651203
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 88563034
N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
CID 53037033
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66373820

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 110650067) is N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KKRLXYOHOFYVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c1-10-4-5-12(17)7-13(10)19-15(21)14-9-22-16(20-14)11-3-2-6-18-8-11/h2-9H,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110650067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).