DZL
Summary
| Name: | 2-ethyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide |
| Formula: | C20 H28 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 376.513 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-ethyl-N-[(1R,2s,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-4-[(2R)-tetrahydrofuran-2-yl]-1,3-thiazole-5-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 2-ethyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(nc1C2OCCC2)CC)NC5C4CC3CC5CC(O)(C3)C4 |
| InChI | InChI | 1.03 | InChI=1S/C20H28N2O3S/c1-2-15-21-17(14-4-3-5-25-14)18(26-15)19(23)22-16-12-6-11-7-13(16)10-20(24,8-11)9-12/h11-14,16,24H,2-10H2,1H3,(H,22,23)/t11-,12-,13+,14-,16-,20-/m1/s1 |
| InChIKey | InChI | 1.03 | VIJAQTISDPENBI-XMNAQTDRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc(C(=O)NC2[C@@H]3CC4C[C@H]2CC(O)(C4)C3)c(n1)[C@H]5CCCO5 |
| SMILES | CACTVS | 3.385 | CCc1sc(C(=O)NC2[CH]3CC4C[CH]2CC(O)(C4)C3)c(n1)[CH]5CCCO5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCc1nc(c(s1)C(=O)NC2C3CC4CC2CC(C4)(C3)O)C5CCCO5 |
