2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-azaspiro[4.5]decan-3-one

• ChemBase ID: 526269
• Molecular Formular: C14H20N2OS
• Molecular Mass: 264.3864
• Monoisotopic Mass: 264.12963427
• SMILES: N1(C(=O)CC2(C1)CCCCC2)Cc1nc(sc1)C
• Canonical SMILES: O=C1CC2(CN1Cc1csc(n1)C)CCCCC2
• InChI: InChI=1S/C14H20N2OS/c1-11-15-12(9-18-11)8-16-10-14(7-13(16)17)5-3-2-4-6-14/h9H,2-8,10H2,1H3
• InChIKey: RFXSFNKVWRXDPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-azaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-azaspiro[4.5]decan-3-one
• Synonyms: 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-azaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.843841
• LogD (pH = 7.4): 1.8448107
• Log P: 1.844823
• Molar Refractivity: 71.7646 cm^3
• Polarizability: 28.037794 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.21
• LOG S: -3.02
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2