7-methyl-2-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 725342
• Molecular Formular: C12H17N3OS
• Molecular Mass: 251.34788
• Monoisotopic Mass: 251.10923318
• SMILES: C12(C(=O)N(CCC2)C)CN(c2nccs2)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)c1nccs1
• InChI: InChI=1S/C12H17N3OS/c1-14-6-2-3-12(10(14)16)4-7-15(9-12)11-13-5-8-17-11/h5,8H,2-4,6-7,9H2,1H3
• InChIKey: XGQFRSJDEVFCFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3744661
• LogD (pH = 7.4): 1.3762192
• Log P: 1.3762414
• Molar Refractivity: 67.7812 cm^3
• Polarizability: 25.597025 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 0.37
• LOG S: -1.35
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 1