Q9S
Summary
| Name: | 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine |
| Formula: | C9 H13 N7 O S2 |
| Formal charge: | 0 |
| Formula weight: | 299.376 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine |
| OpenEye OEToolkits | 2.0.7 | 5-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc3nnc(OC1CCN(CC1)c2nnc(N)s2)s3 |
| InChI | InChI | 1.03 | 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) |
| InChIKey | InChI | 1.03 | RUDRLRZJXZZCQT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(OC2CCN(CC2)c3sc(N)nn3)nn1 |
| SMILES | CACTVS | 3.385 | Nc1sc(OC2CCN(CC2)c3sc(N)nn3)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N |
