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

C12H11ClN2OS — CID 110696195

IUPACN-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C12H11ClN2OS/c1-7-5-9(13)3-4-10(7)15-11(16)12-14-8(2)6-17-12/h3-6H,1-2H3,(H,15,16)
InChIKeyVKLRYDXDPBZHOF-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.67
Rot. Bonds2

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

N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 110696195) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID110696195
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C12H11ClN2OS/c1-7-5-9(13)3-4-10(7)15-11(16)12-14-8(2)6-17-12/h3-6H,1-2H3,(H,15,16)
InChIKeyVKLRYDXDPBZHOF-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696253
N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696181
N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696235
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696476
N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384693
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696183
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide (CID 110696195) is N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is VKLRYDXDPBZHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-7-5-9(13)3-4-10(7)15-11(16)12-14-8(2)6-17-12/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).