Novel pyridine-thiazole hybrid: synthesis, structural characterisation and adme predictions

In this study, novel 4-(4-chlorophenyl)-N-phenyl-3-(pyridin-4-yl)thiazol-2(3H)-imine derivative (2) has been synthesized and the structure of the compound has been investigated by spectral analysis methods. By 1H-NMR and 13C-NMR spectral analysis, it was determined that the compound was obtained purely and its structure was elucidated. Further characterization of the compound 2D-NMR has been used to confirm the ring closure of the thiazole and the positions of the substituents linked carbon atoms. In silico studies have been completed via SwissADME and pkCSM pharmacokinetics software programs. The SwissADME software predicted that compound 2 could cross the blood-brain barrier (BBB) and also enter the gastrointestinal system. pkCSM pharmacokinetics studies indicated that compound 2 has no hepatotoxicity and also shows no skin irritation.