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Ligand Download |
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| Ligand Name: 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine | ||
| HET ID: Q9S | PubChem: 121256372 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Nc1nnc(s1)OC1CCN(CC1)c1nnc(s1)N | ||
| Standard InChI: InChI=1S/C9H13N7OS2/c10-6-12-14-8(18-6)16-3-1-5(2-4-16)17-9-15-13-7(11)19-9/h5H,1-4H2,(H2,10,12)(H2,11,13) | ||
| Molecular Formula: C9H13N7OS2 | Mol. Weight: 299.37582 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: False | logP: 1.8292 |
| HBD: 2 | HBA: 10 | TPSA: 172.55 |
| #Bonds: 21 | #Rotatable Bonds: 3 | Shape Complexity: 0.5555556 |
| Stereocomplexity: 0.0 | ||