6F4
Summary
| Name: | N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine |
| Formula: | C7 H8 N4 S2 |
| Formal charge: | 0 |
| Formula weight: | 212.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine |
| OpenEye OEToolkits | 2.0.4 | ~{N}2-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccsc1CNc2nnc(s2)N |
| InChI | InChI | 1.03 | InChI=1S/C7H8N4S2/c8-6-10-11-7(13-6)9-4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)(H,9,11) |
| InChIKey | InChI | 1.03 | KYOKGDLJKFUPBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(NCc2sccc2)nn1 |
| SMILES | CACTVS | 3.385 | Nc1sc(NCc2sccc2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(sc1)CNc2nnc(s2)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(sc1)CNc2nnc(s2)N |
