A1A36
Summary
| Name: | 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine |
| Formula: | C7 H12 N2 S |
| Formal charge: | 0 |
| Formula weight: | 156.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine |
| OpenEye OEToolkits | 3.1.0.0 | 1-(2-ethyl-1,3-thiazol-5-yl)-~{N}-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCc1ncc(CNC)s1 |
| InChI | InChI | 1.06 | InChI=1S/C7H12N2S/c1-3-7-9-5-6(10-7)4-8-2/h5,8H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.06 | CSZFIJNBBMUGDN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc(CNC)cn1 |
| SMILES | CACTVS | 3.385 | CCc1sc(CNC)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCc1ncc(s1)CNC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCc1ncc(s1)CNC |
