PDB CCD ID: | 5TP |
Number of entries in BioLiP: | 0 |
Chemical formula: | C11 H16 N2 O S |
InChI: | 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: | PJAJLCKKKBOBSB-SECBINFHSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | O=C(c1nccs1)CCC2NCCCC2 | CACTVS 3.370 | O=C(CC[CH]1CCCCN1)c2sccn2 | CACTVS 3.370 | O=C(CC[C@H]1CCCCN1)c2sccn2 | OpenEye OEToolkits 1.7.0 | c1csc(n1)C(=O)CCC2CCCCN2 | OpenEye OEToolkits 1.7.0 | c1csc(n1)C(=O)CC[C@H]2CCCCN2 |
|
Name: | 3-[(2R)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one |
ZINC: | ZINC000098208526 |