AD6
Summary
| Name: | 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide |
| Formula: | C11 H10 Br N3 O S |
| Formal charge: | 0 |
| Formula weight: | 312.186 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide |
| OpenEye OEToolkits | 1.5.0 | 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC)c2ccc(Nc1ncc(Br)s1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)c1ccc(Nc2sc(Br)cn2)cc1 |
| SMILES | CACTVS | 3.341 | CNC(=O)c1ccc(Nc2sc(Br)cn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br |
| InChI | InChI | 1.03 | InChI=1S/C11H10BrN3OS/c1-13-10(16)7-2-4-8(5-3-7)15-11-14-6-9(12)17-11/h2-6H,1H3,(H,13,16)(H,14,15) |
| InChIKey | InChI | 1.03 | IMMYNZJEOGNQTM-UHFFFAOYSA-N |
