7-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-oxa-7-azaspiro[4.5]decan-8-one

• ChemBase ID: 633567
• Molecular Formular: C14H19N3O2S
• Molecular Mass: 293.38456
• Monoisotopic Mass: 293.11979786
• SMILES: c12nc(cn1CCS2)CN1C(=O)CCC2(C1)COCC2
• Canonical SMILES: O=C1CCC2(CN1Cc1cn3c(n1)SCC3)COCC2
• InChI: InChI=1S/C14H19N3O2S/c18-12-1-2-14(3-5-19-10-14)9-17(12)8-11-7-16-4-6-20-13(16)15-11/h7H,1-6,8-10H2
• InChIKey: RQJKSARBYWATHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-oxa-7-azaspiro[4.5]decan-8-one
• IUPAC Traditional name: 7-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-oxa-7-azaspiro[4.5]decan-8-one
• Synonyms: 7-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxa-7-azaspiro[4.5]decan-8-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4712805
• LogD (pH = 7.4): 0.5122891
• Log P: 0.5128394
• Molar Refractivity: 77.8279 cm^3
• Polarizability: 30.13038 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.45
• LOG S: -2.82
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 2