WFI
Summary
| Name: | 1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine |
| Formula: | C10 H11 N3 S |
| Formal charge: | 0 |
| Formula weight: | 205.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine |
| OpenEye OEToolkits | 2.0.7 | (4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCc1sc(nc1C)c1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H11N3S/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h2-5H,6,11H2,1H3 |
| InChIKey | InChI | 1.06 | HSWRYUZXDMQDGC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(sc1CN)c2ccncc2 |
| SMILES | CACTVS | 3.385 | Cc1nc(sc1CN)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)c2ccncc2)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)c2ccncc2)CN |
