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A new hydrazone ligand (FCSH; HL) was successfully synthesized by the reaction of salicylaldehyde hydrazone with 3‐formylchromone. Seven copper(II) hydrazone complexes have been synthesized by using several copper(II) salts (acetate, nitrate, sulfate, perchlorate, chloride, and bromide). Elemental analysis, electronic, infrared, mass, nuclear magnetic resonance, electron spin resonance spectra, thermal analysis, molar conductivity, and magnetic susceptibility measurements were used to characterize structures of the hydrazone ligand and its complexes. The ligand behaves as monobasic tridentate for all complexes except complex 2 (monobasic tetradentate) and complex 4 (neutral tridentate). All metal complexes exhibited octahedral geometries. With the aid of Coats–Redfern equations, the kinetic parameters (Ea, A, ∆H, ∆S, and ∆G) of the thermal decomposition stages were calculated and discussed. At the B3LYP/6‐311G(d,p) level engaged in the Gaussian 09 program, density functional theory (DFT) calculations were carried out to inspect the optimized structures of the chelating agent and its complexes. The hydrazone ligand and its copper(II) complexes showed antitumor activity towards HepG2 cell line. The docking study of the hydrazone ligand and its copper(II) complexes was investigated with the active site of the CDK2 kinase.

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New nickel (II), cobalt (II), and several copper (II) complexes have been synthesized from the hydrazone ligand (AHTDSH; H2L); which obtained from 5‐acetyl‐4‐hydroxy‐2H‐1,3‐thiazine‐2,6(3H)‐dione with salicylaldehyde hydrazone. The structures of H2L ligand and the prepared complexes were confirmed by spectroscopic and analytical techniques. The ligand behaves as bis (monobasic bidentate) and dibasic tetradentate chelating agent via azomethine nitrogen and phenolic oxygen atoms. Octahedral geometries have been assigned for the prepared complexes. The Coats–Redfern equations were used to estimate the kinetic parameters (Ea, A, H, S, and G) of the thermal decomposition stages. The molecular structural characteristics of the ligand and its metal complexes were estimated based on density functional theory (DFT) level implemented in the Gaussian 09 software at B3LYP/6‐311G(d,p) level and the theoretical data were connected with the results of the experimental work. The anticancer activity of AHTDSH ligand and its complexes was demonstrated toward HepG2 cell lines. The interaction between the chemical and the active site of the CDK2 kinase was examined using a docking study of the hydrazone ligand and its complexes.

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