2-(3-Ethyl-4-oxo-5-piperidino-2-thiazolidinylidene)acetic acid ethyl ester
PubChem CID: 9904352
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 17243-64-0, Probilin, Secrebil, W 3699, NSC300622, 2-(3-Ethyl-4-oxo-5-piperidino-2-thiazolidinylidene)acetic acid ethyl ester, Probkin (TN), Acetic acid, (Z)-, Piprozolin (USAN/INN), cis-2-(3-Ethyl-4-oxo-5-piperidino-2-thiazolidinylidene)acetic acid, SCHEMBL26112463, D05489, .DELTA.2, 3-ethyl-4-oxo-5-piperidino-, ethyl ester, .delta.(sup 2, 3-ethyl-4-oxo-5-piperidino-, ethyl ester, .delta.-(sup 2, 3-ethyl-4-oxo-5-piperidino-, ethyl ester, (Z)-, Ethyl 3-ethyl-4-oxo-5-piperidino-.DELTA.(sup2,.alpha.)-thiazolidineacetate |
|---|---|
| Topological Polar Surface Area | 75.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (2E)-2-(3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C14H22N2O3S |
| Prediction Swissadme | 1.0 |
| Inchi Key | UAXYBJSAPFTPNB-ZHACJKMWSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -2.126 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.243 |
| Compound Name | 2-(3-Ethyl-4-oxo-5-piperidino-2-thiazolidinylidene)acetic acid ethyl ester |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.135 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.135 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.6138296000000008 |
| Inchi | InChI=1S/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3/b11-10+ |
| Smiles | CCN1/C(=C\C(=O)OCC)/SC(C1=O)N2CCCCC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Source_db:cmaup_ingredients