5-{2,8-diazaspiro[4.5]decane-3-carbonyl}-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine

• ChemBase ID: 474236
• Molecular Formular: C15H23N5OS
• Molecular Mass: 321.44102
• Monoisotopic Mass: 321.16233138
• SMILES: c12c(nc(s1)N)CCN(C(=O)C1NCC3(C1)CCNCC3)C2
• Canonical SMILES: O=C(N1CCc2c(C1)sc(n2)N)C1NCC2(C1)CCNCC2
• InChI: InChI=1S/C15H23N5OS/c16-14-19-10-1-6-20(8-12(10)22-14)13(21)11-7-15(9-18-11)2-4-17-5-3-15/h11,17-18H,1-9H2,(H2,16,19)
• InChIKey: LVUOFOGXRBZNKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2,8-diazaspiro[4.5]decane-3-carbonyl}-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: 5-{2,8-diazaspiro[4.5]decane-3-carbonyl}-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: 5-(2,8-diazaspiro[4.5]dec-3-ylcarbonyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.546242
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -6.881756
• LogD (pH = 7.4): -5.593776
• Log P: -0.41296116
• Molar Refractivity: 86.2904 cm^3
• Polarizability: 33.43663 Å^3
• Polar Surface Area: 83.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.49
• LOG S: -2.44
• Polar Surface Area: 83.28 Å^2
• Rotatable Bonds: 1