2-{[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
2-{[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | F449-3533 |
| Compound Name: | 2-{[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 519.67 |
| Molecular Formula: | C26 H33 N9 O S |
| Smiles: | Cc1ccc(cc1)c1c(NC(C)(C)C)n2c(n1)sc(n2)N(C)CC(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1907 |
| logD: | 4.1905 |
| logSw: | -4.0526 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.297 |
| InChI Key: | WZFBMHNXQCJEDV-UHFFFAOYSA-N |