N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide

C13H14N2OS — CID 58883688

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccccc2)sc1C
InChIInChI=1S/C13H14N2OS/c1-9-10(2)17-12(15-9)8-14-13(16)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyVJHXNLISIYYCHR-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.69
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 58883688) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID58883688
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccccc2)sc1C
InChIInChI=1S/C13H14N2OS/c1-9-10(2)17-12(15-9)8-14-13(16)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyVJHXNLISIYYCHR-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 N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide 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-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444788
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 110444729
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122004521
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 120550524
2-[[(4-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629996

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide (CID 58883688) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccccc2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is VJHXNLISIYYCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-10(2)17-12(15-9)8-14-13(16)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide 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 N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 58883688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).