A1DN8
Summary
| Name: | 2-(1H-pyrrol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide |
| Formula: | C10 H8 F3 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 275.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(1H-pyrrol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-pyrrol-1-yl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,3-thiazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(F)CNC(=O)c1csc(n1)n1cccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H8F3N3OS/c11-10(12,13)6-14-8(17)7-5-18-9(15-7)16-3-1-2-4-16/h1-5H,6H2,(H,14,17) |
| InChIKey | InChI | 1.06 | LEEUOPSQACBDLN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CNC(=O)c1csc(n1)n2cccc2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)CNC(=O)c1csc(n1)n2cccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccn(c1)c2nc(cs2)C(=O)NCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccn(c1)c2nc(cs2)C(=O)NCC(F)(F)F |
