3-(dimethyl-1,3-thiazol-5-yl)-2-methoxypyridine

• ChemBase ID: 429765
• Molecular Formular: C11H12N2OS
• Molecular Mass: 220.29078
• Monoisotopic Mass: 220.06703401
• SMILES: c1(c2c(nccc2)OC)c(nc(s1)C)C
• Canonical SMILES: COc1ncccc1c1sc(nc1C)C
• InChI: InChI=1S/C11H12N2OS/c1-7-10(15-8(2)13-7)9-5-4-6-12-11(9)14-3/h4-6H,1-3H3
• InChIKey: SMRSDJAIENADKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethyl-1,3-thiazol-5-yl)-2-methoxypyridine
• IUPAC Traditional name: 3-(dimethyl-1,3-thiazol-5-yl)-2-methoxypyridine
• Synonyms: 3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxypyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7481246
• LogD (pH = 7.4): 1.7495012
• Log P: 1.7495188
• Molar Refractivity: 59.8387 cm^3
• Polarizability: 24.200926 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.37
• LOG S: -2.83
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2