A1E9V
Summary
| Name: | (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine |
| Formula: | C12 H14 N2 S |
| Formal charge: | 0 |
| Formula weight: | 218.318 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2S/c1-8(13)10-3-5-11(6-4-10)12-9(2)14-7-15-12/h3-8H,13H2,1-2H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | CNZNRMWCDRNGBO-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)c1ccc(cc1)c2scnc2C |
| SMILES | CACTVS | 3.385 | C[CH](N)c1ccc(cc1)c2scnc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)c2ccc(cc2)[C@H](C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)c2ccc(cc2)C(C)N |
