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

• ChemBase ID: 767164
• Molecular Formular: C10H15N3OS
• Molecular Mass: 225.3106
• Monoisotopic Mass: 225.09358312
• SMILES: c12c(nc(s1)N)CCNC2C1COCC1
• Canonical SMILES: Nc1nc2c(s1)C(NCC2)C1COCC1
• InChI: InChI=1S/C10H15N3OS/c11-10-13-7-1-3-12-8(9(7)15-10)6-2-4-14-5-6/h6,8,12H,1-5H2,(H2,11,13)
• InChIKey: PUOPYFGFWNDLDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.737381
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6491046
• LogD (pH = 7.4): -1.092827
• Log P: 0.3264048
• Molar Refractivity: 59.4679 cm^3
• Polarizability: 22.838394 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.0
• LOG S: -1.13
• Polar Surface Area: 65.96 Å^2
• Rotatable Bonds: 4