7-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 339183
• Molecular Formular: C14H16N4O3S
• Molecular Mass: 320.36684
• Monoisotopic Mass: 320.09431139
• SMILES: c12nc(CC(=O)N3CC4(OC(=O)NC4)CCC3)cn1ccs2
• Canonical SMILES: O=C1NCC2(O1)CCCN(C2)C(=O)Cc1cn2c(n1)scc2
• InChI: InChI=1S/C14H16N4O3S/c19-11(6-10-7-17-4-5-22-12(17)16-10)18-3-1-2-14(9-18)8-15-13(20)21-14/h4-5,7H,1-3,6,8-9H2,(H,15,20)
• InChIKey: AXPVUOHOHOKTSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-(imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.596153
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.30265293
• LogD (pH = 7.4): 0.31604514
• Log P: 0.31622112
• Molar Refractivity: 90.2126 cm^3
• Polarizability: 30.338505 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.64
• LOG S: -2.94
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 2