K1P
Summary
| Name: | 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane |
| Formula: | C8 H14 N4 S |
| Formal charge: | 0 |
| Formula weight: | 198.289 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane |
| OpenEye OEToolkits | 2.0.6 | 5-(1,4-diazepan-1-yl)-3-methyl-1,2,4-thiadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(snc1C)N2CCNCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C8H14N4S/c1-7-10-8(13-11-7)12-5-2-3-9-4-6-12/h9H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | MZKLTZIEMSVRMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nsc(n1)N2CCCNCC2 |
| SMILES | CACTVS | 3.385 | Cc1nsc(n1)N2CCCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc(sn1)N2CCCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc(sn1)N2CCCNCC2 |
