1A7
Summary
| Name: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one |
| Formula: | C9 H6 F N O S |
| Formal charge: | 0 |
| Formula weight: | 195.213 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one |
| OpenEye OEToolkits | 1.7.6 | 4-(2-fluorophenyl)-3H-1,3-thiazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2SC=C(c1c(F)cccc1)N2 |
| InChI | InChI | 1.03 | InChI=1S/C9H6FNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-5H,(H,11,12) |
| InChIKey | InChI | 1.03 | WPBUAOKGWQBCMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Fc1ccccc1C2=CSC(=O)N2 |
| SMILES | CACTVS | 3.370 | Fc1ccccc1C2=CSC(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C2=CSC(=O)N2)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C2=CSC(=O)N2)F |
