N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 705314
• Molecular Formular: C17H26N4OS
• Molecular Mass: 334.47954
• Monoisotopic Mass: 334.18273247
• SMILES: n1c(sc2c1CCC2)CCNC(=O)C1NCC2(C1)CCNCC2
• Canonical SMILES: O=C(C1NCC2(C1)CCNCC2)NCCc1sc2c(n1)CCC2
• InChI: InChI=1S/C17H26N4OS/c22-16(13-10-17(11-20-13)5-8-18-9-6-17)19-7-4-15-21-12-2-1-3-14(12)23-15/h13,18,20H,1-11H2,(H,19,22)
• InChIKey: RWTSMHUOBRDVCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.345266
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.811473
• LogD (pH = 7.4): -4.521205
• Log P: 0.63010746
• Molar Refractivity: 91.126 cm^3
• Polarizability: 35.806362 Å^3
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.95
• LOG S: -2.45
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 4