2-(2-fluoro-3-methoxyphenyl)-1,3-thiazole

• ChemBase ID: 731043
• Molecular Formular: C10H8FNOS
• Molecular Mass: 209.2400232
• Monoisotopic Mass: 209.0310631
• SMILES: c1(c2nccs2)c(c(OC)ccc1)F
• Canonical SMILES: COc1cccc(c1F)c1nccs1
• InChI: InChI=1S/C10H8FNOS/c1-13-8-4-2-3-7(9(8)11)10-12-5-6-14-10/h2-6H,1H3
• InChIKey: ZVWRFEAEEKWOCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.641638
• LogD (pH = 7.4): 2.641837
• Log P: 2.6418395
• Molar Refractivity: 63.0476 cm^3
• Polarizability: 20.586336 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.62
• LOG S: -2.97
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2