N-(4-methyl-1,3-thiazol-2-yl)-2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}-2-oxoacetamide

• ChemBase ID: 425666
• Molecular Formular: C15H22N4O2S
• Molecular Mass: 322.42578
• Monoisotopic Mass: 322.14634696
• SMILES: c1(NC(=O)C(=O)N2CCC3(CN(CC3)C)CC2)nc(cs1)C
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)C(=O)C(=O)Nc1scc(n1)C
• InChI: InChI=1S/C15H22N4O2S/c1-11-9-22-14(16-11)17-12(20)13(21)19-7-4-15(5-8-19)3-6-18(2)10-15/h9H,3-8,10H2,1-2H3,(H,16,17,20)
• InChIKey: VVCOAAHSFVFNKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methyl-1,3-thiazol-2-yl)-2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}-2-oxoacetamide
• IUPAC Traditional name: N-(4-methyl-1,3-thiazol-2-yl)-2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}-2-oxoacetamide
• Synonyms: 2-(2-methyl-2,8-diazaspiro[4.5]dec-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.29
• LOG S: -3.11
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 2

JChem

• H Donor: 1
• LogD (pH = 5.5): -2.6956856
• LogD (pH = 7.4): -1.3764141
• Log P: 0.25893462
• Molar Refractivity: 86.5403 cm^3
• Polarizability: 32.66159 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 10.063714
• H Acceptors: 4