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

C12H12N2OS — CID 110850665

IUPACN-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncs1
InChIInChI=1S/C12H12N2OS/c1-9-4-2-3-5-10(9)6-14-12(15)11-7-13-8-16-11/h2-5,7-8H,6H2,1H3,(H,14,15)
InChIKeyAZXSJYNXNQNSKA-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.38
Rot. Bonds3

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

N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 110850665) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID110850665
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncs1
InChIInChI=1S/C12H12N2OS/c1-9-4-2-3-5-10(9)6-14-12(15)11-7-13-8-16-11/h2-5,7-8H,6H2,1H3,(H,14,15)
InChIKeyAZXSJYNXNQNSKA-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110850663
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850738
N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 103632444
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
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
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 110850665) is N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is Cc1ccccc1CNC(=O)c1cncs1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AZXSJYNXNQNSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-4-2-3-5-10(9)6-14-12(15)11-7-13-8-16-11/h2-5,7-8H,6H2,1H3,(H,14,15).
What are the key properties of N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110850665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).