N-benzyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 462693
• Molecular Formular: C18H19N3OS2
• Molecular Mass: 357.49296
• Monoisotopic Mass: 357.09695424
• SMILES: c1(nc(sc1)CCC)C(=O)N(Cc1nccs1)Cc1ccccc1
• Canonical SMILES: CCCc1scc(n1)C(=O)N(Cc1nccs1)Cc1ccccc1
• InChI: InChI=1S/C18H19N3OS2/c1-2-6-16-20-15(13-24-16)18(22)21(12-17-19-9-10-23-17)11-14-7-4-3-5-8-14/h3-5,7-10,13H,2,6,11-12H2,1H3
• InChIKey: WUYCWTWXUGHOFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-benzyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
• Synonyms: N-benzyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7647605
• LogD (pH = 7.4): 3.7649536
• Log P: 3.764956
• Molar Refractivity: 97.1954 cm^3
• Polarizability: 37.05367 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.35
• LOG S: -4.67
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 7