A1DOP
Summary
| Name: | 2-[(7R)-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethan-1-amine |
| Formula: | C10 H10 N4 S2 |
| Formal charge: | 0 |
| Formula weight: | 250.343 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[(7R)-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | 2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NCCc1csc2nc(nn12)c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C10H10N4S2/c11-4-3-7-6-16-10-12-9(13-14(7)10)8-2-1-5-15-8/h1-2,5-6H,3-4,11H2 |
| InChIKey | InChI | 1.06 | ZORSBVQZDPEAHB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1csc2nc(nn12)c3sccc3 |
| SMILES | CACTVS | 3.385 | NCCc1csc2nc(nn12)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)c2nc3n(n2)c(cs3)CCN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)c2nc3n(n2)c(cs3)CCN |
