Skip to main content
. 2021 Aug 10;22(16):8609. doi: 10.3390/ijms22168609

Table 3.

Physicochemical properties of the obtained series of 2-(adamantylamino)thiazol-4(5H)-one derivatives.

Compound miLogP tPSA [A2] Molecular Weight
[g/mol]
nON nOHNH Number Rotatable Bonds PAINS *
3a 2.64 41.46 250.37 3 1 2 0
3b 3.00 41.46 264.39 3 1 2 0
3c 3.51 41.46 278.42 3 1 3 0
3d 4.07 41.46 292.45 3 1 4 0
3e 3.75 41.46 292.45 3 1 3 0
3f 3.45 41.46 278.42 3 1 2 0
3g 4.22 41.46 326.46 3 1 3 0
3h 5.03 41.46 405.36 3 1 3 0
3i 4.62 41.46 318.49 3 1 2 0
3j 3.37 41.46 290.43 3 1 2 0

nOHNH—hydrogen bond donor; nON—hydrogen bond acceptor, tPSA—topological polar surface area, * Alerts of PAINS were determined according [47,48,49].