N-{1,9-dioxaspiro[5.5]undecan-4-yl}-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide

• ChemBase ID: 403660
• Molecular Formular: C16H21N3O3S
• Molecular Mass: 335.42124
• Monoisotopic Mass: 335.13036255
• SMILES: c12nc(cn1ccs2)CC(=O)NC1CC2(OCC1)CCOCC2
• Canonical SMILES: O=C(Cc1cn2c(n1)scc2)NC1CCOC2(C1)CCOCC2
• InChI: InChI=1S/C16H21N3O3S/c20-14(9-13-11-19-4-8-23-15(19)18-13)17-12-1-5-22-16(10-12)2-6-21-7-3-16/h4,8,11-12H,1-3,5-7,9-10H2,(H,17,20)
• InChIKey: PLUOVTBBIGIJMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide
• IUPAC Traditional name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide
• Synonyms: N-1,9-dioxaspiro[5.5]undec-4-yl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.099269
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.06610799
• LogD (pH = 7.4): 0.07954959
• Log P: 0.079723716
• Molar Refractivity: 98.0075 cm^3
• Polarizability: 33.43747 Å^3
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.11
• LOG S: -3.02
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 3