A1ABQ
Summary
| Name: | (5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine |
| Formula: | C10 H11 F N2 S |
| Formal charge: | 0 |
| Formula weight: | 210.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-~{N}-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CN=C(Nc2ccc(F)cc2)S1 |
| InChI | InChI | 1.06 | InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | QAZPKSKUOOWBMI-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN=C(Nc2ccc(F)cc2)S1 |
| SMILES | CACTVS | 3.385 | C[CH]1CN=C(Nc2ccc(F)cc2)S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CN=C(S1)Nc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN=C(S1)Nc2ccc(cc2)F |
