The research article comprehensively presents salient applications of an environment friendly chromone-thiazole hybrid (CTH) as a potential anticancer molecule and as an organic inhibitor against mild steel (MS) corrosion. The SRB assay used for antiproliferative screening gives excellent IC50 (10.8 μM) against MDA-MB-231 (breast cancer) cell line. Further, CTH has excellent inhibition efficacy (∼97 % at 400 ppm) against MS corrosion in 1 M HCl. The in vitro results of anticancer and anticorrosive evaluation are in good agreement with the computational studies, which include docking, ADME, DFT, MD simulation, and toxicity prediction.