5TP
Summary
| Name: | 3-[(2R)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one |
| Formula: | C11 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 224.323 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2R)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one |
| OpenEye OEToolkits | 1.7.0 | 3-[(2R)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1nccs1)CCC2NCCCC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(CC[C@H]1CCCCN1)c2sccn2 |
| SMILES | CACTVS | 3.370 | O=C(CC[CH]1CCCCN1)c2sccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1csc(n1)C(=O)CC[C@H]2CCCCN2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1csc(n1)C(=O)CCC2CCCCN2 |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2OS/c14-10(11-13-7-8-15-11)5-4-9-3-1-2-6-12-9/h7-9,12H,1-6H2/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | PJAJLCKKKBOBSB-SECBINFHSA-N |
