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

C12H12N2OS — CID 809483

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1C
InChIInChI=1S/C12H12N2OS/c1-8-9(2)16-12(13-8)14-11(15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14,15)
InChIKeyBDMRYFFDMJVVMY-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.01
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide (PubChem CID 809483) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
PubChem CID809483
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1C
InChIInChI=1S/C12H12N2OS/c1-8-9(2)16-12(13-8)14-11(15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14,15)
InChIKeyBDMRYFFDMJVVMY-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide (CID 809483) is N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide is Cc1nc(NC(=O)c2ccccc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BDMRYFFDMJVVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-9(2)16-12(13-8)14-11(15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 232.31 g/mol, XLogP of 3.01, 2 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)benzamide is sourced from PubChem (CID 809483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).