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

C12H10Cl2N2OS — CID 850555

IUPAC2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H10Cl2N2OS/c1-6-8(13)4-3-5-9(6)16-11(17)10-7(2)15-12(14)18-10/h3-5H,1-2H3,(H,16,17)
InChIKeyYIAQOPPLMMNLDK-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.32
Rot. Bonds2

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

2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 850555) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID850555
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H10Cl2N2OS/c1-6-8(13)4-3-5-9(6)16-11(17)10-7(2)15-12(14)18-10/h3-5H,1-2H3,(H,16,17)
InChIKeyYIAQOPPLMMNLDK-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-4-methylthiazole-5-carboxamide
CID 42618040
2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850548
N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
CID 850571
2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850741
2-chloro-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 1818773
N-(2,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 8076096
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16302173
1-[2-(3-Chloro-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 684865
2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 695122
4-Methyl-2-(3-phenyl-acryloylamino)-thiazole-5-carboxylic acid (3-chloro-phenyl)-amide
CID 1468186
Quinolinone, 37
CID 42618063
N-(3-Chlorophenyl)-N-((5-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-4-methylthiazole-5-carboxamide
CID 42618065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 850555) is 2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cl)sc1C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YIAQOPPLMMNLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-6-8(13)4-3-5-9(6)16-11(17)10-7(2)15-12(14)18-10/h3-5H,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 301.20 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).