7-methyl-2-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 635356
• Molecular Formular: C16H20N4O2S
• Molecular Mass: 332.4206
• Monoisotopic Mass: 332.1306969
• SMILES: c1(n2c(nc1C)scc2)C(=O)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1c(C)nc2n1ccs2
• InChI: InChI=1S/C16H20N4O2S/c1-11-12(20-8-9-23-15(20)17-11)13(21)19-7-5-16(10-19)4-3-6-18(2)14(16)22/h8-9H,3-7,10H2,1-2H3
• InChIKey: YJSPKEXPIUBMHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.0936959
• LogD (pH = 7.4): 0.09451307
• Log P: 0.094523504
• Molar Refractivity: 99.4661 cm^3
• Polarizability: 32.98208 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.72
• LOG S: -3.09
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 1