3IR
Summary
| Name: | (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide |
| Synonyms: | ((1R,2R)-2-Phenyl-N-(1,3-thiazol-2-yl) cyclopropanecarboxamide |
| Formula: | C13 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 244.312 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2OS/c16-12(15-13-14-6-7-17-13)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,14,15,16)/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | ZOOMNALRJFPRHO-WDEREUQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1sccn1)[C@@H]2C[C@H]2c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C(Nc1sccn1)[CH]2C[CH]2c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CC2C(=O)Nc3nccs3 |
