N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide

C12H12N2OS — CID 62045312

IUPACN-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cscn1
InChIInChI=1S/C12H12N2OS/c1-8-4-3-5-9(2)11(8)14-12(15)10-6-16-7-13-10/h3-7H,1-2H3,(H,14,15)
InChIKeyXZKPGDHCIFFYOK-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.01
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide

N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62045312) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID62045312
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cscn1
InChIInChI=1S/C12H12N2OS/c1-8-4-3-5-9(2)11(8)14-12(15)10-6-16-7-13-10/h3-7H,1-2H3,(H,14,15)
InChIKeyXZKPGDHCIFFYOK-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
N-(2,6-dimethyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 71857584
N-(6-chloro-8-methylquinolin-5-yl)-1,3-thiazole-4-carboxamide
CID 63047841
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679477
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576927
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 112520643
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide (CID 62045312) is N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1cscn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XZKPGDHCIFFYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-4-3-5-9(2)11(8)14-12(15)10-6-16-7-13-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).