(2R,4R)-2-[(4R)-2-(7-chloro-3-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID: 162923246
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 151.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 566.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,4R)-2-[(4R)-2-(7-chloro-3-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidine-4-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C16H15ClN4O2S2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KXBPCKCPCXURQL-FIXISWKDSA-N |
| Fcsp3 | 0.3125 |
| Logs | -2.57 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.327 |
| Compound Name | (2R,4R)-2-[(4R)-2-(7-chloro-3-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidine-4-carboxamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 394.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.032 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 394.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1378357999999995 |
| Inchi | InChI=1S/C16H15ClN4O2S2/c17-8-2-1-7-3-12(22)13(19-9(7)4-8)16-21-11(6-25-16)15-20-10(5-24-15)14(18)23/h1-4,10-11,15,20,22H,5-6H2,(H2,18,23)/t10-,11+,15+/m0/s1 |
| Smiles | C1[C@@H](N=C(S1)C2=C(C=C3C=CC(=CC3=N2)Cl)O)[C@@H]4N[C@@H](CS4)C(=O)N |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Nolina Erumpens (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Petasites Niveus (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Solanum Toxicarium (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients