N-{2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 448088
• Molecular Formular: C14H15N5O3S
• Molecular Mass: 333.3656
• Monoisotopic Mass: 333.08956037
• SMILES: c1(nc2n(c1)ccs2)C(=O)NCCc1nc(on1)C1OCCC1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)NCCc1noc(n1)C1CCCO1
• InChI: InChI=1S/C14H15N5O3S/c20-12(9-8-19-5-7-23-14(19)16-9)15-4-3-11-17-13(22-18-11)10-2-1-6-21-10/h5,7-8,10H,1-4,6H2,(H,15,20)
• InChIKey: ZFKMLVBJLUPOTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-{2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-{2-[5-(tetrahydro-2-furanyl)-1,2,4-oxadiazol-3-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.254449
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0164906
• LogD (pH = 7.4): 1.016522
• Log P: 1.0165225
• Molar Refractivity: 94.7347 cm^3
• Polarizability: 30.72646 Å^3
• Polar Surface Area: 94.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.87
• LOG S: -2.37
• Polar Surface Area: 94.55 Å^2
• Rotatable Bonds: 5