BQH
Summary
| Name: | (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide |
| Formula: | C10 H14 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 254.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14N4O2S/c1-6(15)8-5-17-10(13-8)14-9(16)7-4-11-2-3-12-7/h5,7,11-12H,2-4H2,1H3,(H,13,14,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | AESXBAWWRWZMPF-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1csc(NC(=O)[C@@H]2CNCCN2)n1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1csc(NC(=O)[CH]2CNCCN2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1csc(n1)NC(=O)C2CNCCN2 |
