1-(4-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxamide

• ChemBase ID: 324462
• Molecular Formular: C16H17FN2OS
• Molecular Mass: 304.3823832
• Monoisotopic Mass: 304.10456239
• SMILES: C1(C(=O)N(C(c2scnc2)C)C)(CC1)c1ccc(cc1)F
• Canonical SMILES: CC(N(C(=O)C1(CC1)c1ccc(cc1)F)C)c1scnc1
• InChI: InChI=1S/C16H17FN2OS/c1-11(14-9-18-10-21-14)19(2)15(20)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,9-11H,7-8H2,1-2H3
• InChIKey: RPXQIAVNYCGUIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(4-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxamide
• Synonyms: 1-(4-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.961594
• LogD (pH = 7.4): 2.9616597
• Log P: 2.9616606
• Molar Refractivity: 80.4948 cm^3
• Polarizability: 30.751966 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.65
• LOG S: -2.83
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4