N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide

C14H16N2OS — CID 1266322

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C14H16N2OS/c1-10(2)13(17)16-14-15-9-12(18-14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
InChIKeyGCGBJMNFAQNFPA-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.33
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide (PubChem CID 1266322) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide
PubChem CID1266322
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C14H16N2OS/c1-10(2)13(17)16-14-15-9-12(18-14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
InChIKeyGCGBJMNFAQNFPA-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide 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-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide (CID 1266322) is N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The InChIKey is GCGBJMNFAQNFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10(2)13(17)16-14-15-9-12(18-14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide has a molecular weight of 260.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 1266322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).