N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 860045
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: n1(c(ncc1)C(C)C)C(C(=O)NCCc1nc(cs1)c1ccccc1)C
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)NCCc1scc(n1)c1ccccc1
• InChI: InChI=1S/C20H24N4OS/c1-14(2)19-21-11-12-24(19)15(3)20(25)22-10-9-18-23-17(13-26-18)16-7-5-4-6-8-16/h4-8,11-15H,9-10H2,1-3H3,(H,22,25)
• InChIKey: YZVLWRJLYCITCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: 2-(2-isopropylimidazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
• Synonyms: 2-(2-isopropyl-1H-imidazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.2380295
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6843038
• LogD (pH = 7.4): 3.5024147
• Log P: 3.6350405
• Molar Refractivity: 103.4606 cm^3
• Polarizability: 41.320652 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.92
• LOG S: -4.38
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 7