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The novel complexes of highly functionalized pyrimidine-2-thiones and [1,3,5]oxadiazocine-4-thiones with copper, palladium, zinc and cadmium salts were synthesized. Coordination occurs through the thiocarbamide fragments of heterocycles (proved by IR, UV, NMR spectroscopy and X-ray diffraction). The biological activity of the obtained compounds was investigated. Several complexes demonstrated good antibacterial activity.