N-{1-oxaspiro[4.5]decan-3-yl}imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 363017
• Molecular Formular: C15H19N3O2S
• Molecular Mass: 305.39526
• Monoisotopic Mass: 305.11979786
• SMILES: c1(nc2n(c1)ccs2)C(=O)NC1CC2(OC1)CCCCC2
• Canonical SMILES: O=C(c1cn2c(n1)scc2)NC1COC2(C1)CCCCC2
• InChI: InChI=1S/C15H19N3O2S/c19-13(12-9-18-6-7-21-14(18)17-12)16-11-8-15(20-10-11)4-2-1-3-5-15/h6-7,9,11H,1-5,8,10H2,(H,16,19)
• InChIKey: CQDUHZOYKYYCQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-oxaspiro[4.5]decan-3-yl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-{1-oxaspiro[4.5]decan-3-yl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-1-oxaspiro[4.5]dec-3-ylimidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.326682
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8776506
• LogD (pH = 7.4): 1.8776826
• Log P: 1.877683
• Molar Refractivity: 91.6294 cm^3
• Polarizability: 30.679287 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.19
• LOG S: -4.15
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 2