Synthesis, Molecular Structure, Properties of Biologically Active Compounds With 1,3,4-Thiadiazole and 1,2,4-Triazole Fragments

This review article discusses modern methods of synthesis, features of the molecular structure and spectral characteristics of biologically active compounds containing 1,3,4-thiadiazole and 1,2,4-triazole fragments. These heterocyclic systems are of considerable interest in medicinal and pharmaceutical chemistry due to a wide range of their biological activity, including antimicrobial, anti-inflammatory, antitumor and antioxidant properties. As a result, they can be considered as pharmacophores. Modern synthetic approaches such as cyclocondensation, nucleophilic substitution reactions and catalytic transformations allow to efficiently obtain various derivatives of 1,3,4-thiadiazole and 1,2,4-triazole with specified pharmacophoric groups. This review provides a detailed discussion of the synthesis methods, chemical modification, and structural studies of mono- and binuclear heterocycles based on 1,3,4-thiadiazole and 1,2,4-triazole in order to obtain biologically active compounds. Studies of the molecular structure using X-ray diffraction analysis (XRD), NMR and IR spectroscopy, mass spectrometry play an important role in identifying and studying the electronic and conformational features of these compounds, and confirm the key role of heterocyclic fragments in the formation of biological activity. Prospects for further research are related to the development of new highly effective derivatives based on 1,3,4-thiadiazole and 1,2,4-triazole, in-depth study of their action mechanisms, and the creation of hybrid molecules with improved pharmacokinetic properties. An integrated approach combining synthetic chemistry, spectroscopic methods and computer modeling opens up new possibilities for the creation of promising twin-drugs based on these heterocyclic systems. Methods for predicting pharmacokinetic properties and drug-likeness in silico using various open-source programs are considered. For citation: Petukhova E.A., Suvorova Yu.V., Danilova E.A. Synthesis, molecular structure, properties of biologically active compounds with 1,3,4-thiadiazole and 1,2,4-triazole fragments. ChemChemTech [Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.]. 2025. V. 68. N 10. P. 6-18. DOI: 10.6060/ivkkt.20256810.7256.