5-(5-fluoro-2-methoxyphenyl)-2-(propan-2-yl)-1,3-thiazole

• ChemBase ID: 763363
• Molecular Formular: C13H14FNOS
• Molecular Mass: 251.3197632
• Monoisotopic Mass: 251.07801329
• SMILES: c1(sc(nc1)C(C)C)c1c(ccc(c1)F)OC
• Canonical SMILES: COc1ccc(cc1c1cnc(s1)C(C)C)F
• InChI: InChI=1S/C13H14FNOS/c1-8(2)13-15-7-12(17-13)10-6-9(14)4-5-11(10)16-3/h4-8H,1-3H3
• InChIKey: NQCVSPXKDMAEIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-fluoro-2-methoxyphenyl)-2-(propan-2-yl)-1,3-thiazole
• IUPAC Traditional name: 5-(5-fluoro-2-methoxyphenyl)-2-isopropyl-1,3-thiazole
• Synonyms: 5-(5-fluoro-2-methoxyphenyl)-2-isopropyl-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6263738
• LogD (pH = 7.4): 3.6275723
• Log P: 3.6275876
• Molar Refractivity: 66.5084 cm^3
• Polarizability: 26.67243 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.5
• LOG S: -4.02
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3