Dithiazolidines represent a distinctive class of organic compounds characterized by a heterocyclic ring containing two sulfur and two nitrogen atoms in a defined arrangement. Their chemical behavior and reactivity can be tuned by introducing different substituents or functional groups, making them valuable in diverse fields such as organic synthesis, medicinal chemistry, materials science, and coordination chemistry. Owing to their unique structural features and mechanisms of action, derivatives of dithiazolidines have attracted attention for their potential antimicrobial properties. In the present study, aryl isothiocyanates were reacted with p-phenylenediamine under reflux in chloroform to yield N aryl S chloro isothiocarbamoyl chloride. This intermediate, upon chlorination followed by cyclization, afforded 3,5 diaryl, diimino, 4 (aryl amino) 1,2,4 dithiazolidines. The synthesized compounds were thoroughly characterized using infrared (IR), nuclear magnetic resonance (NMR), and mass spectroscopic techniques. Biological screening revealed that these derivatives exhibited moderate to significant antibacterial and antifungal activity against selected microbial strains. Furthermore, molecular docking studies were performed to investigate the binding interactions of the newly synthesized dithiazolidines with target proteins. The docking results showed good agreement with the experimental findings, thereby reinforcing the potential of these compounds as promising scaffolds for antimicrobial drug development. Overall, this work highlights the relevance of dithiazolidine derivatives in medicinal chemistry and encourages further exploration of their applications..
Keywords: Dithiazolidines, aryl isothiocyanate, cyclization reaction, antimicrobial activity, molecular docking.
How to cite this article:Pande PS, Ugale M, Shah S; Synthesis, Characterization, Molecular Docking And Exploration Of Biological Activities Of 3,5-Diaryl, Diimino, 4-(Aryl Amino)-1,2,4 Dithiazolidine...Int J Drug Deliv Technol. 2026;16(1s): 750-761; DOI: 10.25258/ijddt.16. 750-761