Carbamazepine (CBZ) is considered to be the preferred drug for fractional seizures and may also use in the prevention of primary generalized tonic– clonic seizures. The chelates of CBZ with Fe(III), Co(II), Ni(II), Cu(II), and Zr(IV) were designed and characterized on the basis of elemental analysis, FTIR, 1H NMR, UV-visible, mass spectra, thermal analysis (TG, DTG, and DTA), molar conductivity, and magnetic moment. IR spectra emphasize that CBZ acts as a neutral bidentate ligand with metal ions through amide oxygen and amino nitrogen. UV-visible spectra and magnetic moment demonstrate that all chelates have geometric octahedral structures. Complexes thermal behavior is systematically analyzed employing TG and DTA technicality. TG findings signalize that water molecules (hydrated and coordinated) are extracted the first and second phases, while CBZ ligand is splitted in the second and subsequent steps. From the DTA curves, the obtained data reflect that the degradation processes are endothermic or exothermic peaks. Assorted thermodynamic factors are calculated, and the results are explicated. Antimicrobial activity was examined against two Gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis) and two Gram-negative bacteria (Escherichia coli and Pseudomonas aeuroginosa). Anti-fungal efficacy of the compounds has been tested. The Co(II) complex was highly significant against the antifungal Candida albicans and significantly against Escherichia coli, Staphylococcus aureus, and Bacillus subtilis.