Synthesis, Structural Characterization, and Thermal Analysis of Benzothiazole and Thiazole Derivatives

Abstract

Benzothiazole and thiazole derivatives constitute an important class of heterocycles with wide-ranging biological and pharmacological applications. In this work, two compounds, a benzothiazole derivative (N-(6-chlorobenzo[d]thiazol-2-yl)cyclopropanecarboxamide) (1) and a thiazole derivative (N-(thiazol-2-yl)-butyramide) (2), are synthesized and characterized by FTIR, ¹H and ¹³C{¹H} NMR spectroscopy, and thermal analysis (TGA-DTA). Both compounds are also characterized by single crystal X-ray diffraction. The spectroscopic data confirmed the presence of the expected functional groups and structural features, supporting the successful synthesis and structural elucidation of the compounds. In silico ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) evaluation revealed favorable physicochemical and pharmacokinetic profiles, with both compounds satisfying Lipinski and related drug-likeness rules.