L5X
Summary
| Name: | 3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol |
| Formula: | C10 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 208.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol |
| OpenEye OEToolkits | 2.0.7 | 3-[[(5~{S})-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CN=C(Nc2cc(O)ccc2)S1 |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | WAICHRCMCQSSEP-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN=C(Nc2cccc(O)c2)S1 |
| SMILES | CACTVS | 3.385 | C[CH]1CN=C(Nc2cccc(O)c2)S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CN=C(S1)Nc2cccc(c2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN=C(S1)Nc2cccc(c2)O |
