BQQ
Summary
| Name: | (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
| Formula: | C15 H18 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 346.407 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H18N6O2S/c1-8(22)12-13(9-4-10(16)6-18-5-9)24-15(20-12)21-14(23)11-7-17-2-3-19-11/h4-6,11,17,19H,2-3,7,16H2,1H3,(H,20,21,23)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | CTUFUQNJXFRTNL-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1nc(NC(=O)[C@@H]2CNCCN2)sc1c3cncc(N)c3 |
| SMILES | CACTVS | 3.385 | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(sc(n1)NC(=O)[C@@H]2CNCCN2)c3cc(cnc3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3cc(cnc3)N |
