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

• ChemBase ID: 514574
• Molecular Formular: C15H17N3O2S2
• Molecular Mass: 335.44438
• Monoisotopic Mass: 335.0762188
• SMILES: c12c(nc(s1)N)CCN(C(=O)c1sc(cc1)C1OCCC1)C2
• Canonical SMILES: Nc1nc2c(s1)CN(CC2)C(=O)c1ccc(s1)C1CCCO1
• InChI: InChI=1S/C15H17N3O2S2/c16-15-17-9-5-6-18(8-13(9)22-15)14(19)12-4-3-11(21-12)10-2-1-7-20-10/h3-4,10H,1-2,5-8H2,(H2,16,17)
• InChIKey: KYDVXXFZMQEIRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: 5-[5-(oxolan-2-yl)thiophene-2-carbonyl]-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: 5-{[5-(tetrahydro-2-furanyl)-2-thienyl]carbonyl}-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.546202
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.072973
• LogD (pH = 7.4): 2.0983083
• Log P: 2.0986416
• Molar Refractivity: 86.8927 cm^3
• Polarizability: 32.55339 Å^3
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.76
• LOG S: -2.29
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 2