5-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole

• ChemBase ID: 521859
• Molecular Formular: C13H14N4O2S
• Molecular Mass: 290.34086
• Monoisotopic Mass: 290.08374671
• SMILES: c1(c2nc(no2)CC2OCCC2)n2c(nc1C)scc2
• Canonical SMILES: Cc1nc2n(c1c1onc(n1)CC1CCCO1)ccs2
• InChI: InChI=1S/C13H14N4O2S/c1-8-11(17-4-6-20-13(17)14-8)12-15-10(16-19-12)7-9-3-2-5-18-9/h4,6,9H,2-3,5,7H2,1H3
• InChIKey: CYPNYIMMTJFRBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
• Synonyms: 6-methyl-5-[3-(tetrahydro-2-furanylmethyl)-1,2,4-oxadiazol-5-yl]imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.737199
• LogD (pH = 7.4): 1.7376146
• Log P: 1.73762
• Molar Refractivity: 96.6875 cm^3
• Polarizability: 28.303259 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.32
• LOG S: -2.45
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 3