2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide

C21H22N2OS — CID 16551592

IUPAC2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccccc2Cc2ccccc2)n1
InChIInChI=1S/C21H22N2OS/c1-21(2,3)18-14-25-20(22-18)23-19(24)17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,23,24)
InChIKeyLJPPZARWMLPTED-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.28
Rot. Bonds4

About 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide

2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide (PubChem CID 16551592) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
PubChem CID16551592
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccccc2Cc2ccccc2)n1
InChIInChI=1S/C21H22N2OS/c1-21(2,3)18-14-25-20(22-18)23-19(24)17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,23,24)
InChIKeyLJPPZARWMLPTED-UHFFFAOYSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-N-(4-tert-butyl-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 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide (CID 16551592) is 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide is CC(C)(C)c1csc(NC(=O)c2ccccc2Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is LJPPZARWMLPTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-21(2,3)18-14-25-20(22-18)23-19(24)17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,23,24).
What are the key properties of 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide?
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 350.49 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 16551592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).