SYNTHESIS, BIOLOGICAL EVALUATION AND DOCKING STUDIES OF NEW 5-(4-ISOPROPYL PHENYL)-1,3,4- THIADIAZOL-2-AMINE DERIVATIVES

A straightforward synthetic pathway has been developed to prepare N-acylated derivatives of 5-(4-isopropyl phenyl)-1,3,4-thiadiazol-2-yl)amines 3(a-j) by reacting 5-(4-isopropyl phenyl)-1,3,4-thiadiazol-2-amine (2) with various symmetrical acid anhydrides in pyridine solvent under refluxing conditions with good yields. This study involves simple, easy, cheap, inexpensive, and benign processes. Molecular docking investigations were done using an auto dock and found that 3i, 3h, and 3a had good binding energies with PDB ID: 5JZX. The antibacterial efficacy of compounds 3(a-j) was investigated against S. aureus and E. coli. Among all the compounds 3c, 3h & 3j showed good strength towards gram-positive and compounds 3e, 3i & 3j showed good strength on gram-negative bacteria. Further antifungal activity is done against Candida albicans. Most of the prepared compounds 3(a-j) showed good activity against tested microorganisms.