YX6
Summary
| Name: | N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide |
| Formula: | C9 H11 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 225.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{R})-6-oxidanylidenepiperidin-3-yl]-1,3-thiazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CCC(=O)NC1)c1cscn1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | MTDCJLXPYPQTPX-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@H](CN1)NC(=O)c2cscn2 |
| SMILES | CACTVS | 3.385 | O=C1CC[CH](CN1)NC(=O)c2cscn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(ncs1)C(=O)N[C@@H]2CCC(=O)NC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(ncs1)C(=O)NC2CCC(=O)NC2 |
