5-(dimethyl-1,3-thiazol-5-yl)-8-methoxyquinoline

• ChemBase ID: 855598
• Molecular Formular: C15H14N2OS
• Molecular Mass: 270.34946
• Monoisotopic Mass: 270.08268408
• SMILES: c1(c(nc(s1)C)C)c1c2c(nccc2)c(cc1)OC
• Canonical SMILES: COc1ccc(c2c1nccc2)c1sc(nc1C)C
• InChI: InChI=1S/C15H14N2OS/c1-9-15(19-10(2)17-9)12-6-7-13(18-3)14-11(12)5-4-8-16-14/h4-8H,1-3H3
• InChIKey: CDOGMVQAPRDURI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethyl-1,3-thiazol-5-yl)-8-methoxyquinoline
• IUPAC Traditional name: 5-(dimethyl-1,3-thiazol-5-yl)-8-methoxyquinoline
• Synonyms: 5-(2,4-dimethyl-1,3-thiazol-5-yl)-8-methoxyquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5276022
• LogD (pH = 7.4): 2.530353
• Log P: 2.5303884
• Molar Refractivity: 75.6034 cm^3
• Polarizability: 31.751667 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: 3.5
• LOG S: -4.16
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2