4-(2-methoxyquinolin-3-yl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine

• ChemBase ID: 524894
• Molecular Formular: C16H16N4OS
• Molecular Mass: 312.38944
• Monoisotopic Mass: 312.10448215
• SMILES: c12c(nc(s2)N)CCNC1c1c(nc2c(c1)cccc2)OC
• Canonical SMILES: COc1nc2ccccc2cc1C1NCCc2c1sc(n2)N
• InChI: InChI=1S/C16H16N4OS/c1-21-15-10(8-9-4-2-3-5-11(9)19-15)13-14-12(6-7-18-13)20-16(17)22-14/h2-5,8,13,18H,6-7H2,1H3,(H2,17,20)
• InChIKey: WPRHMNAQFMULEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyquinolin-3-yl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: 4-(2-methoxyquinolin-3-yl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: 4-(2-methoxy-3-quinolinyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.717173
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.91263634
• LogD (pH = 7.4): 2.407702
• Log P: 2.626544
• Molar Refractivity: 86.1848 cm^3
• Polarizability: 34.1909 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.42
• LOG S: -3.83
• Polar Surface Area: 78.85 Å^2
• Rotatable Bonds: 5