Structural and spectroscopic investigation on a new potentially bioactive di-hydrazone containing thiophene heterocyclic rings

• A novel di-hydrazone containing thiophene heterocyclic rings was synthesized.
• This symmetrical compound crystallizes in two different conformations.
• Its solution 1H NMR spectrum exhibits some unexpected non-symmetric features.
• This di-hydrazone performs quite well concerning the Lipinski rule of five.

Hydrazones and several substituted hydrazones are associated with a broad spectrum of biological activities, as well as compounds containing the thiophene ring. In this context, a novel di-hydrazone derived from 2-thiophenecarboxylic acid hydrazide was synthesized and completely characterized by elemental analysis, XRD, FT-IR, Raman and UV–Vis spectroscopies, thermogravimetry, 1H NMR, 1H–1H COSY and 1H–1H ROESY. A preliminary in silico pharmacological evaluation was also performed in order to assess the performance of the new compound regarding some molecular properties relevant for a drug's pharmacokinetics in the human body.

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