AJ1
Summary
| Name: | N-(2-METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL)ACETAMIDE |
| Formula: | C10 H11 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 221.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(methylamino)-1,3-benzothiazol-6-yl]acetamide |
| OpenEye OEToolkits | 1.9.2 | N-[2-(methylamino)-1,3-benzothiazol-6-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccc2nc(sc2c1)NC)C |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3OS/c1-6(14)12-7-3-4-8-9(5-7)15-10(11-2)13-8/h3-5H,1-2H3,(H,11,13)(H,12,14) |
| InChIKey | InChI | 1.03 | YPYAGNMJHWIZMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1sc2cc(NC(C)=O)ccc2n1 |
| SMILES | CACTVS | 3.385 | CNc1sc2cc(NC(C)=O)ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1ccc2c(c1)sc(n2)NC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1ccc2c(c1)sc(n2)NC |
