1-[2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

• ChemBase ID: 646845
• Molecular Formular: C16H17FN2OS
• Molecular Mass: 304.3823832
• Monoisotopic Mass: 304.10456239
• SMILES: N1(C(CC1)c1ccc(cc1)F)C(=O)CCc1c(ncs1)C
• Canonical SMILES: Fc1ccc(cc1)C1CCN1C(=O)CCc1scnc1C
• InChI: InChI=1S/C16H17FN2OS/c1-11-15(21-10-18-11)6-7-16(20)19-9-8-14(19)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3
• InChIKey: FAIKJEOKIISAEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
• IUPAC Traditional name: 1-[2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
• Synonyms: 5-{3-[2-(4-fluorophenyl)-1-azetidinyl]-3-oxopropyl}-4-methyl-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4336183
• LogD (pH = 7.4): 2.4339473
• Log P: 2.4339516
• Molar Refractivity: 80.7158 cm^3
• Polarizability: 30.67056 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: 2.22
• LOG S: -3.32
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4