U0M
Summary
| Name: | 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine |
| Formula: | C9 H12 F N3 S |
| Formal charge: | 0 |
| Formula weight: | 213.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine |
| OpenEye OEToolkits | 2.0.7 | 2-[(5-fluoranyl-3,6-dihydro-2~{H}-pyridin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=1CCN(CC=1F)Cc2nnc(C)s2 |
| InChI | InChI | 1.03 | InChI=1S/C9H12FN3S/c1-7-11-12-9(14-7)6-13-4-2-3-8(10)5-13/h3H,2,4-6H2,1H3 |
| InChIKey | InChI | 1.03 | WRJUIVWNZADJJL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CN2CCC=C(F)C2)nn1 |
| SMILES | CACTVS | 3.385 | Cc1sc(CN2CCC=C(F)C2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc(s1)CN2CCC=C(C2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc(s1)CN2CCC=C(C2)F |
