4-(4-fluorophenyl)-2-[1-(2-methanesulfonylethyl)-1H-imidazol-2-yl]-1,3-thiazole

• ChemBase ID: 747955
• Molecular Formular: C15H14FN3O2S2
• Molecular Mass: 351.4189632
• Monoisotopic Mass: 351.05114692
• SMILES: c1(nc(cs1)c1ccc(cc1)F)c1n(CCS(=O)(=O)C)ccn1
• Canonical SMILES: Fc1ccc(cc1)c1csc(n1)c1nccn1CCS(=O)(=O)C
• InChI: InChI=1S/C15H14FN3O2S2/c1-23(20,21)9-8-19-7-6-17-14(19)15-18-13(10-22-15)11-2-4-12(16)5-3-11/h2-7,10H,8-9H2,1H3
• InChIKey: QHQCTEVNFZBNDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)-2-[1-(2-methanesulfonylethyl)-1H-imidazol-2-yl]-1,3-thiazole
• IUPAC Traditional name: 4-(4-fluorophenyl)-2-[1-(2-methanesulfonylethyl)imidazol-2-yl]-1,3-thiazole
• Synonyms: 4-(4-fluorophenyl)-2-{1-[2-(methylsulfonyl)ethyl]-1H-imidazol-2-yl}-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9552284
• LogD (pH = 7.4): 1.9945009
• Log P: 1.9950299
• Molar Refractivity: 107.2329 cm^3
• Polarizability: 34.872272 Å^3
• Polar Surface Area: 64.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.22
• LOG S: -3.66
• Polar Surface Area: 64.85 Å^2
• Rotatable Bonds: 5