N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 690684
• Molecular Formular: C18H24N6OS
• Molecular Mass: 372.48776
• Monoisotopic Mass: 372.17323042
• SMILES: c1(nc(cs1)CCNC(=O)C1NCC2(C1)CCNCC2)c1nccnc1
• Canonical SMILES: O=C(C1NCC2(C1)CCNCC2)NCCc1csc(n1)c1nccnc1
• InChI: InChI=1S/C18H24N6OS/c25-16(14-9-18(12-23-14)2-5-19-6-3-18)22-4-1-13-11-26-17(24-13)15-10-20-7-8-21-15/h7-8,10-11,14,19,23H,1-6,9,12H2,(H,22,25)
• InChIKey: VPOOQVZGSLVWKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.974926
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -6.841137
• LogD (pH = 7.4): -5.5516505
• Log P: -0.40035227
• Molar Refractivity: 109.2971 cm^3
• Polarizability: 39.67677 Å^3
• Polar Surface Area: 91.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: 0.16
• LOG S: -3.36
• Polar Surface Area: 91.83 Å^2
• Rotatable Bonds: 5