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

C16H12ClN3O2S — CID 110650167

IUPACN-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H12ClN3O2S/c1-22-14-3-2-11(17)8-12(14)19-15(21)13-9-23-16(20-13)10-4-6-18-7-5-10/h2-9H,1H3,(H,19,21)
InChIKeyAYMNXPAGINCXNF-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.12
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 110650167) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID110650167
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H12ClN3O2S/c1-22-14-3-2-11(17)8-12(14)19-15(21)13-9-23-16(20-13)10-4-6-18-7-5-10/h2-9H,1H3,(H,19,21)
InChIKeyAYMNXPAGINCXNF-UHFFFAOYSA-N
XLogP4.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
2-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 55433666
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506025
2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 112773660
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110650067
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 110650167) is N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1csc(-c2ccncc2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is AYMNXPAGINCXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c1-22-14-3-2-11(17)8-12(14)19-15(21)13-9-23-16(20-13)10-4-6-18-7-5-10/h2-9H,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 345.81 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110650167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).