ZMG
Summary
| Name: | (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one |
| Synonyms: | (R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one |
| Formula: | C12 H13 F N2 O S |
| Formal charge: | 0 |
| Formula weight: | 252.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one |
| OpenEye OEToolkits | 1.5.0 | (5R)-2-[(2-fluorophenyl)amino]-5-propan-2-yl-1,3-thiazol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc1ccccc1NC2=NC(=O)C(S2)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H]1SC(=NC1=O)Nc2ccccc2F |
| SMILES | CACTVS | 3.341 | CC(C)[CH]1SC(=NC1=O)Nc2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C1C(=O)N=C(S1)Nc2ccccc2F |
| InChI | InChI | 1.03 | InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | OJJBBNIYQKFZDK-SNVBAGLBSA-N |
