N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide

C13H13ClN2OS — CID 110696299

IUPACN-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2Cl)sc1C
InChIInChI=1S/C13H13ClN2OS/c1-8-9(2)18-13(16-8)12(17)15-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyOURWLBUGBLODHA-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.34
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide

N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 110696299) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID110696299
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2Cl)sc1C
InChIInChI=1S/C13H13ClN2OS/c1-8-9(2)18-13(16-8)12(17)15-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyOURWLBUGBLODHA-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290
2-benzyl-N-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084159
N-[(2-chlorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691865
5-N-[(2-chlorophenyl)methyl]-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353628
N-[(2-chlorophenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851429
N-[(2-chlorophenyl)methyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680031
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037569
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[(2-chlorophenyl)methyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365403
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084644

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide (CID 110696299) is N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NCc2ccccc2Cl)sc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is OURWLBUGBLODHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-8-9(2)18-13(16-8)12(17)15-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).