3WW
Summary
| Name: | (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine |
| Formula: | C11 H12 N2 S |
| Formal charge: | 0 |
| Formula weight: | 204.291 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine |
| OpenEye OEToolkits | 1.9.2 | (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ccsc1C(N)Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2S/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-7,10H,8,12H2/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ADXGZQRJIYRSGK-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccccc1)c2sccn2 |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccccc1)c2sccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C[C@@H](c2nccs2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CC(c2nccs2)N |
