2-[1-(1,3-thiazol-5-yl)propan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 842812
• Molecular Formular: C15H23N3OS
• Molecular Mass: 293.42762
• Monoisotopic Mass: 293.15618337
• SMILES: N1(C(=O)CCC2(C1)CCNCC2)C(Cc1scnc1)C
• Canonical SMILES: CC(N1CC2(CCNCC2)CCC1=O)Cc1cncs1
• InChI: InChI=1S/C15H23N3OS/c1-12(8-13-9-17-11-20-13)18-10-15(3-2-14(18)19)4-6-16-7-5-15/h9,11-12,16H,2-8,10H2,1H3
• InChIKey: SBVJBAGNUBHBES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(1,3-thiazol-5-yl)propan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-[1-(1,3-thiazol-5-yl)propan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-[1-methyl-2-(1,3-thiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): -2.3074949
• LogD (pH = 7.4): -1.6200272
• Log P: 0.9126064
• Molar Refractivity: 80.7448 cm^3
• Polarizability: 31.48616 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 1
• Log P: 0.89
• LOG S: -2.1
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3