Experimental and theoretical investigations on a furan-2-carboxamide-bearing thiazole: synthesis, molecular characterization by IR/NMR/XRD, electronic characterization by DFT, Hirshfeld surface analysis and biological activity.

A thiazole-based heterocyclic amide, namely, N-(thiazol-2-yl)furan-2-carboxamide, CHNOS, was synthesized and investigated for its antimicrobial activity. The structure was characterized by elemental analysis and IR, H NMR, and C NMR spectroscopy. The molecular and electronic structures were investigated experimentally by single-crystal X-ray diffraction (XRD) and theoretically by density functional theory (DFT) modelling.