1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide

• ChemBase ID: 599017
• Molecular Formular: C14H13FN2OS
• Molecular Mass: 276.3292232
• Monoisotopic Mass: 276.07326227
• SMILES: C1(CC1)(C(=O)NCc1nccs1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1(CC1)C(=O)NCc1nccs1
• InChI: InChI=1S/C14H13FN2OS/c15-11-3-1-10(2-4-11)14(5-6-14)13(18)17-9-12-16-7-8-19-12/h1-4,7-8H,5-6,9H2,(H,17,18)
• InChIKey: URSVGNOSVMALQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
• Synonyms: 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.18877
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2619405
• LogD (pH = 7.4): 2.2621279
• Log P: 2.2621365
• Molar Refractivity: 70.7222 cm^3
• Polarizability: 27.09022 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.55
• LOG S: -3.79
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4