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

• ChemBase ID: 695362
• Molecular Formular: C11H13N5OS
• Molecular Mass: 263.31882
• Monoisotopic Mass: 263.08408106
• SMILES: c12c(nc(s1)N)CCN(c1cc(ncn1)OC)C2
• Canonical SMILES: COc1ncnc(c1)N1CCc2c(C1)sc(n2)N
• InChI: InChI=1S/C11H13N5OS/c1-17-10-4-9(13-6-14-10)16-3-2-7-8(5-16)18-11(12)15-7/h4,6H,2-3,5H2,1H3,(H2,12,15)
• InChIKey: SKXZSVCOQVDERZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.75054
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.5296919
• LogD (pH = 7.4): 1.628422
• Log P: 1.6297644
• Molar Refractivity: 70.7517 cm^3
• Polarizability: 25.487509 Å^3
• Polar Surface Area: 77.16 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: 1.68
• LOG S: -2.56
• Polar Surface Area: 77.16 Å^2
• Rotatable Bonds: 2