S0B
Summary
| Name: | (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine |
| Formula: | C12 H16 N2 S |
| Formal charge: | 0 |
| Formula weight: | 220.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine |
| OpenEye OEToolkits | 1.7.6 | (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1=C(SC(C)C1)NCCc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2S/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | CGXLCYZPSOHWJJ-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN=C(NCCc2ccccc2)S1 |
| SMILES | CACTVS | 3.385 | C[CH]1CN=C(NCCc2ccccc2)S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1CN=C(S1)NCCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CN=C(S1)NCCc2ccccc2 |
