2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F449-2969 |
| Compound Name: | 2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C21 H27 F N6 O S |
| Smiles: | CC(C)(C)Nc1c(c2ccc(cc2)F)nc2n1nc(N(C)CC(N1CCCC1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.7775 |
| logD: | 3.7774 |
| logSw: | -3.8322 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.041 |
| InChI Key: | AEDXZILJYPQYHA-UHFFFAOYSA-N |