5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

C16H12ClN3OS — CID 71709641

IUPAC5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccn2)c(-c2ccccc2Cl)s1
InChIInChI=1S/C16H12ClN3OS/c1-10-19-14(16(21)20-13-8-4-5-9-18-13)15(22-10)11-6-2-3-7-12(11)17/h2-9H,1H3,(H,18,20,21)
InChIKeyNNPQUXKBZMBEAK-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.42
Rot. Bonds3

About 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71709641) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID71709641
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccn2)c(-c2ccccc2Cl)s1
InChIInChI=1S/C16H12ClN3OS/c1-10-19-14(16(21)20-13-8-4-5-9-18-13)15(22-10)11-6-2-3-7-12(11)17/h2-9H,1H3,(H,18,20,21)
InChIKeyNNPQUXKBZMBEAK-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

ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 164646931
4-methyl-N-pyridin-2-yl-1,2,5-oxadiazole-3-carboxamide
CID 110692016
5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 19245788
N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854642
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485
4-methyl-N-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 110696243
ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
CID 15005355
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316
3-chloro-1,1-dioxo-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 10829557
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 71709641) is 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccccn2)c(-c2ccccc2Cl)s1.
What is the InChIKey of 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NNPQUXKBZMBEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c1-10-19-14(16(21)20-13-8-4-5-9-18-13)15(22-10)11-6-2-3-7-12(11)17/h2-9H,1H3,(H,18,20,21).
What are the key properties of 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
5-(2-chlorophenyl)-2-methyl-N-pyridin-2-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 5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71709641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).