Table 2.
Bioavailability parameters of 2-(isopropylamino)thiazol-4(5H)-one derivatives calculated with the Molinspiration and ALOGPS 2.1 software.
| No. | Lipinski’s Rule of Five | Veber’s Rule | |||||
|---|---|---|---|---|---|---|---|
| Molecular Weight a | miLog P a | Log P b | nOHNH a | nON a | TPSA/Å2 a | Nrotb a | |
| 3a | 172.25 | 0.75 | 1.01 | 1 | 3 | 41.46 | 2 |
| 3b | 186.28 | 1.25 | 1.86 | 1 | 3 | 41.46 | 3 |
| 3c | 200.31 | 1.81 | 2.37 | 1 | 3 | 41.46 | 4 |
| 3d | 200.31 | 1.50 | 1.53 | 1 | 3 | 41.46 | 3 |
| 3e | 186.28 | 1.20 | 1.39 | 1 | 3 | 41.46 | 2 |
| 3f | 234.32 | 1.97 | 2.26 | 1 | 3 | 41.46 | 3 |
| 3g | 313.22 | 2.78 | 2.82 | 1 | 3 | 41.46 | 3 |
| 3h | 226.34 | 2.37 | 2.54 | 1 | 3 | 41.46 | 2 |
| 3i | 198.29 | 1.12 | 1.88 | 1 | 3 | 41.46 | 2 |
a Molinspiration; b ALOGPS 2.1.