4-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propyl-1,3-thiazole

• ChemBase ID: 690930
• Molecular Formular: C16H17FN2OS
• Molecular Mass: 304.3823832
• Monoisotopic Mass: 304.10456239
• SMILES: c1(C(=O)N2C(CC2)c2ccc(cc2)F)nc(sc1)CCC
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCC1c1ccc(cc1)F
• InChI: InChI=1S/C16H17FN2OS/c1-2-3-15-18-13(10-21-15)16(20)19-9-8-14(19)11-4-6-12(17)7-5-11/h4-7,10,14H,2-3,8-9H2,1H3
• InChIKey: FDOSGPAZOWFRQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propyl-1,3-thiazole
• IUPAC Traditional name: 4-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propyl-1,3-thiazole
• Synonyms: 4-{[2-(4-fluorophenyl)-1-azetidinyl]carbonyl}-2-propyl-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3994253
• LogD (pH = 7.4): 3.3994274
• Log P: 3.3994274
• Molar Refractivity: 80.8304 cm^3
• Polarizability: 30.478085 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: 1.97
• LOG S: -3.1
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4