N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 341431
• Molecular Formular: C21H23N5O2S
• Molecular Mass: 409.50462
• Monoisotopic Mass: 409.157246
• SMILES: c12n(cc(n1)CCNC(=O)CCc1nnc(o1)CCCc1ccccc1)ccs2
• Canonical SMILES: O=C(CCc1nnc(o1)CCCc1ccccc1)NCCc1cn2c(n1)scc2
• InChI: InChI=1S/C21H23N5O2S/c27-18(22-12-11-17-15-26-13-14-29-21(26)23-17)9-10-20-25-24-19(28-20)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,13-15H,4,7-12H2,(H,22,27)
• InChIKey: OMZDXPCNZUAOGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.799056
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0094543
• LogD (pH = 7.4): 2.0286012
• Log P: 2.028851
• Molar Refractivity: 123.6453 cm^3
• Polarizability: 42.085247 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.22
• LOG S: -6.16
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 10