K04
Summary
| Name: | (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name) |
| Formula: | C8 H11 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 213.257 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name) |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{S})-3-methyl-~{N}-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cc(NC(C1OCCC1C)=O)sn2 |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | OAYBAYPFIGUPDE-FSPLSTOPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCO[C@@H]1C(=O)Nc2snnc2 |
| SMILES | CACTVS | 3.385 | C[CH]1CCO[CH]1C(=O)Nc2snnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1CCO[C@@H]1C(=O)Nc2cnns2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CCOC1C(=O)Nc2cnns2 |
