N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | S639-0611 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 360.48 |
| Molecular Formula: | C17 H24 N6 O S |
| Smiles: | Cc1c(C(N[C@@H]2CN(C[C@H]2CN(C)C)c2ccncn2)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3742 |
| logD: | -0.7644 |
| logSw: | -2.0045 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.19 |
| InChI Key: | AABFFDASXQJBML-KBPBESRZSA-N |