Antimicrobial Properties of 4-Aryl-3-(2-methyl-furan-3-yl)-Δ²-1,2,4-triazoline-5-thiones

Abstract

Four 4-aryl-3-(2-methyl-furan-3-yl)-Δ²-1,2,4-triazole-5-thiones were synthesized by intramolecular cyclization of 4-aryl-1-[(2-methyl-furan-3-yl)carbonyl]thiosemicarbazides in alkaline medium. The antimicrobial activity of the synthesized triazoles was evaluated. Semiempirical calculations of geometries, energies, and QSAR parameters have been determined in the hope of gaining insight into different biological activities of closely related isomers. New RM1 parameterization has been shown to perform very well for this class of compounds.

Keywords:

• Δ²-1,2,4-triazoline-5-thione
• antimicrobial activity
• QSAR

Notes

^a Energies in kcal/mol, surfaces in Ų, volumes in ų.

∗na – no activity in disc diffusion test- denotes lack of the growth inhibition zone.

∗∗nt—not tested.