A1BFP
Summary
| Name: | N-{[(2R)-4-methylmorpholin-2-yl]methyl}-1,3-thiazol-2-amine |
| Formula: | C9 H15 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 213.3 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{[(2R)-4-methylmorpholin-2-yl]methyl}-1,3-thiazol-2-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[[(2~{S})-4-methylmorpholin-2-yl]methyl]-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN1CC(OCC1)CNc1nccs1 |
| InChI | InChI | 1.06 | InChI=1S/C9H15N3OS/c1-12-3-4-13-8(7-12)6-11-9-10-2-5-14-9/h2,5,8H,3-4,6-7H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | ZGXKOJCCDSYBKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCO[C@@H](CNc2sccn2)C1 |
| SMILES | CACTVS | 3.385 | CN1CCO[CH](CNc2sccn2)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1CCO[C@H](C1)CNc2nccs2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1CCOC(C1)CNc2nccs2 |
