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

C13H14N2OS — CID 22170855

IUPACN-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-9(2)11-8-14-13(17-11)15-12(16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16)
InChIKeyARVLZMBIEIZEKE-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.52
Rot. Bonds3

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

N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22170855) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22170855
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-9(2)11-8-14-13(17-11)15-12(16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16)
InChIKeyARVLZMBIEIZEKE-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-propan-2-yl-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-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 22170855) is N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1cnc(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ARVLZMBIEIZEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9(2)11-8-14-13(17-11)15-12(16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16).
What are the key properties of N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 246.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22170855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).