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

• ChemBase ID: 708932
• Molecular Formular: C19H19N5O2S
• Molecular Mass: 381.45146
• Monoisotopic Mass: 381.12594587
• SMILES: c12nc(cn1ccs2)C(NC(=O)CCc1nc(no1)c1c(C)cccc1)C
• Canonical SMILES: O=C(NC(c1cn2c(n1)scc2)C)CCc1onc(n1)c1ccccc1C
• InChI: InChI=1S/C19H19N5O2S/c1-12-5-3-4-6-14(12)18-22-17(26-23-18)8-7-16(25)20-13(2)15-11-24-9-10-27-19(24)21-15/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,25)
• InChIKey: NABSVBWHPGPXRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.219642
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4039812
• LogD (pH = 7.4): 3.4123266
• Log P: 3.4124346
• Molar Refractivity: 125.218 cm^3
• Polarizability: 39.154034 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.83
• LOG S: -3.54
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 6