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

C18H15ClN2O2S — CID 27666433

IUPAC2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C18H15ClN2O2S/c1-11-16(17(22)21-14-8-3-4-9-15(14)23-2)24-18(20-11)12-6-5-7-13(19)10-12/h3-10H,1-2H3,(H,21,22)
InChIKeyGTZZIHKBNZPJAZ-UHFFFAOYSA-N
MW358.85 g/mol
LogP5.03
Rot. Bonds4

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

2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 27666433) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID27666433
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C18H15ClN2O2S/c1-11-16(17(22)21-14-8-3-4-9-15(14)23-2)24-18(20-11)12-6-5-7-13(19)10-12/h3-10H,1-2H3,(H,21,22)
InChIKeyGTZZIHKBNZPJAZ-UHFFFAOYSA-N
XLogP5.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.85
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24673326
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26688807
2-(3-chlorophenyl)-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599394
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55460695
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897941
N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52656409
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55415381
2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192536
N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9045199
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 27666433) is 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccccc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GTZZIHKBNZPJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-11-16(17(22)21-14-8-3-4-9-15(14)23-2)24-18(20-11)12-6-5-7-13(19)10-12/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27666433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).