K0S
Summary
| Name: | N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide |
| Formula: | C11 H12 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 248.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nc(CCC)sc1NC(c2ncccc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H12N4OS/c1-2-5-9-14-15-11(17-9)13-10(16)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,13,15,16) |
| InChIKey | InChI | 1.03 | YLIXOWXKFVUKRS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1sc(NC(=O)c2ccccn2)nn1 |
| SMILES | CACTVS | 3.385 | CCCc1sc(NC(=O)c2ccccn2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCc1nnc(s1)NC(=O)c2ccccn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCc1nnc(s1)NC(=O)c2ccccn2 |
