TL;DR: 5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione (CAS 1055980-71-6) is a chemical compound with molecular formula C9H6N2O2S and molecular weight 206.015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
Also Known As: 5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione, J1.021.656G, 5-[(4-Pyridyl)methylene]thiazolidine-2,4-dione, (5Z)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione, (5Z)-5-(4-pyridylmethylene)thiazolidine-2,4-dione
| Molecular Formula | C9H6N2O2S |
| Molecular Weight | 206.015 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 84.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.015 Da |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
| SMILES | C1=CN=CC=C1/C=C\2/C(=O)NC(=O)S2 |
| InChIKey | SNBCHQYHZKXQQY-ALCCZGGFSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione. Following Lipinski's Rule of Five, 5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione is 1055980-71-6.
The molecular formula of 5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione is C9H6N2O2S.
The molecular weight of 5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione is 206.015 g/mol.
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