2-(2-fluoro-6-methoxyphenyl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 585091
• Molecular Formular: C11H9FN2O2S
• Molecular Mass: 252.2647632
• Monoisotopic Mass: 252.03687676
• SMILES: c1(nc(cs1)C(=O)N)c1c(F)cccc1OC
• Canonical SMILES: COc1cccc(c1c1scc(n1)C(=O)N)F
• InChI: InChI=1S/C11H9FN2O2S/c1-16-8-4-2-3-6(12)9(8)11-14-7(5-17-11)10(13)15/h2-5H,1H3,(H2,13,15)
• InChIKey: JAKQAWLHDDMWPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluoro-6-methoxyphenyl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 2-(2-fluoro-6-methoxyphenyl)-1,3-thiazole-4-carboxamide
• Synonyms: 2-(2-fluoro-6-methoxyphenyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.229933
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8783301
• LogD (pH = 7.4): 1.8783302
• Log P: 1.8783301
• Molar Refractivity: 71.754 cm^3
• Polarizability: 23.516092 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.17
• LOG S: -2.04
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3