The allyl thiosemicarbazide, N 1 -thiocarbamylamidrazone derivatives and the products of their cyclisation: the 1,2,4-triazole, 1,3,4-thiadiazole, 1,2,4-triazole[3,4-b]1,3-thiazine, 1,2,4-triazole[3,2-b]1,3-thiazine, 1,3,4-thiadiazole[3,2-a]pyrimidine, 5,6-dihydrothiazolo[2,3-c][1,2,4]triazole and benzoic acid derivatives have been analyzed by RP-HPLC and RP-TLC methods using the methanol-water mixtures as the mobile phase and the octadecyl stationary phase. The lipophilicity was expressed as the chromatographically derived descriptors: mean of k (mk), mean of log k (mlogk), logk w , S, and φ 0 , scores of k, logk and R M corresponding to the first principal component.Additionally the authors propose to introduce a descriptor (logk m ) corresponding to the residual specific interactions.Chromatographic parameters of lipophilicity were compared with the partition coefficient (logP) calculated by various softwares (milogP, clogP, AlogPs, AClogP, AlogP, MlogP, KOWWIN, XlogP2, XlogP3). The matrices were created with logk w or R MW and logP and Downloaded by [Emory University] at 06:30 03 August 2015 2 they have been the subject of PCA analysis. The effects of the selected compounds on the central nervous system (CNS) of mice were studied.