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

C12H11ClN2O2S — CID 850554

IUPAC2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(Cl)nc2C)c1
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(18-12(13)14-7)11(16)15-8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyXWPGPSWLPWJXDP-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.37
Rot. Bonds3

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

2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 850554) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID850554
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(Cl)nc2C)c1
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(18-12(13)14-7)11(16)15-8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyXWPGPSWLPWJXDP-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236
2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611606
2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35270851
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152980
N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696202
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)oxamide
CID 108519615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 850554) is 2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)c2sc(Cl)nc2C)c1.
What is the InChIKey of 2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XWPGPSWLPWJXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-7-10(18-12(13)14-7)11(16)15-8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).