4KH
Summary
| Name: | 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide |
| Formula: | C15 H10 F N3 O S |
| Formal charge: | 0 |
| Formula weight: | 299.323 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide |
| OpenEye OEToolkits | 1.9.2 | 2-fluoranyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3c(c2nc(NC(c1c(cccc1)F)=O)sc2)ccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H10FN3OS/c16-12-4-2-1-3-11(12)14(20)19-15-18-13(9-21-15)10-5-7-17-8-6-10/h1-9H,(H,18,19,20) |
| InChIKey | InChI | 1.03 | OVEKVWJGWABLNU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1C(=O)Nc2scc(n2)c3ccncc3 |
| SMILES | CACTVS | 3.385 | Fc1ccccc1C(=O)Nc2scc(n2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F |
