2-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decane

• ChemBase ID: 588492
• Molecular Formular: C11H17N3S
• Molecular Mass: 223.33778
• Monoisotopic Mass: 223.11431856
• SMILES: c1(N2CC3(CC2)CCNCC3)nccs1
• Canonical SMILES: N1CCC2(CC1)CCN(C2)c1nccs1
• InChI: InChI=1S/C11H17N3S/c1-4-12-5-2-11(1)3-7-14(9-11)10-13-6-8-15-10/h6,8,12H,1-5,7,9H2
• InChIKey: QQDXTDZAKBGBSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decane
• Synonyms: 2-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7994721
• LogD (pH = 7.4): -1.3219917
• Log P: 1.4331594
• Molar Refractivity: 62.8092 cm^3
• Polarizability: 24.038097 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 0.7
• LOG S: -0.42
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1