N-methyl-2-(2-phenyl-1H-imidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide

• ChemBase ID: 678313
• Molecular Formular: C17H18N4OS
• Molecular Mass: 326.41602
• Monoisotopic Mass: 326.12013222
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)N(C(c1scnc1)C)C
• Canonical SMILES: O=C(N(C(c1cncs1)C)C)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C17H18N4OS/c1-13(15-10-18-12-23-15)20(2)16(22)11-21-9-8-19-17(21)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3
• InChIKey: DGUCEAMPADEQAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-phenyl-1H-imidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide
• IUPAC Traditional name: N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide
• Synonyms: N-methyl-2-(2-phenyl-1H-imidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5914723
• LogD (pH = 7.4): 2.1352105
• Log P: 2.1538954
• Molar Refractivity: 100.7352 cm^3
• Polarizability: 35.187683 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.12
• LOG S: -2.54
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5