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

C13H14N2OS — CID 110850663

IUPAC5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1ncsc1C
InChIInChI=1S/C13H14N2OS/c1-9-5-3-4-6-11(9)7-14-13(16)12-10(2)17-8-15-12/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyZCPXJHOTIQLSBV-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.69
Rot. Bonds3

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

5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110850663) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID110850663
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1ncsc1C
InChIInChI=1S/C13H14N2OS/c1-9-5-3-4-6-11(9)7-14-13(16)12-10(2)17-8-15-12/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyZCPXJHOTIQLSBV-UHFFFAOYSA-N
XLogP2.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-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-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 110851153
N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 110850665
4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850738
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
2-methyl-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide
CID 110695685
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-[2-(dimethylamino)ethyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 110849548
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 110850663) is 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccccc1CNC(=O)c1ncsc1C.
What is the InChIKey of 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZCPXJHOTIQLSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-5-3-4-6-11(9)7-14-13(16)12-10(2)17-8-15-12/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110850663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).