A1CYD
Summary
| Name: | 4-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine |
| Formula: | C9 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 198.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine |
| OpenEye OEToolkits | 3.1.0.0 | 4-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1csc(NCC2OCCC2)n1 |
| InChI | InChI | 1.06 | InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | VWLMRMKWLYRBMA-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1csc(NC[C@@H]2CCCO2)n1 |
| SMILES | CACTVS | 3.385 | Cc1csc(NC[CH]2CCCO2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1csc(n1)NC[C@@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1csc(n1)NCC2CCCO2 |
