2-(2-propyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 857888
• Molecular Formular: C15H23N3OS
• Molecular Mass: 293.42762
• Monoisotopic Mass: 293.15618337
• SMILES: c1(nc(sc1)CCC)C(=O)N1CC2(CC1)CNCCC2
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCC2(C1)CCCNC2
• InChI: InChI=1S/C15H23N3OS/c1-2-4-13-17-12(9-20-13)14(19)18-8-6-15(11-18)5-3-7-16-10-15/h9,16H,2-8,10-11H2,1H3
• InChIKey: RMSDMWNLYYYCFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-propyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(2-propyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4755812
• LogD (pH = 7.4): -0.86077964
• Log P: 1.7487849
• Molar Refractivity: 80.9217 cm^3
• Polarizability: 31.20748 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.91
• LOG S: -2.12
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3