Antimicrobial Activity and Quantum Chemical Calculations of Pyrazol-2,3-Dihydrothiazole Sugar Derivatives

Abstract

A number of new [(pyrazol-4-yl) methylene] hydrazono-2,3-dihydrothiazoles, sugar hydrazones, and their N-glycoside derivatives were synthesized. The chemical structures of the synthesized compounds were confirmed by ¹H NMR technique. The newly synthesized compounds were tested for their antimicrobial activities and showed moderate to high inhibition activities. Quantum chemistry calculations were used to study the molecular geometry and electronic structure of the selected derivatives. The energy gap between the highest occupied molecular orbital (HOMO)and lowest unoccupied molecular orbital (LUMO) has been calculated using the theoretical computations to reflect the chemical reactivity and kinetic stability of compounds.

Keywords: 1H-pyrazole, aminothiazole, ethylchloroacetate, quantum chemical calculations, antimicrobial activity.