TL;DR: 2-Hydroxy-4-(3-methylpyridyl)-1,3-thiazole-5-carbaldehyde (CAS 127868-38-6) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-formyl-4-(3-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate
Also Known As: BAS 00929318, AB00079322-01, 2-hydroxy-4-(3-methylpyridyl)-1,3-thiazole-5-carbaldehyde, 5-FORMYL-4-(3-METHYL-1-PYRIDINIUMYL)-1,3-THIAZOL-2-OLATE, 5-formyl-4-(3-methylpyridin-1-ium-1-yl)thiazol-2-olate
| Molecular Formula | C10H8N2O2S |
| Molecular Weight | 220.03065 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03065 Da |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| SMILES | CC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=O |
| InChIKey | ZDBSHHFSTGSCND-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-(3-methylpyridyl)-1,3-thiazole-5-carbaldehyde. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-4-(3-methylpyridyl)-1,3-thiazole-5-carbaldehyde. Following Lipinski's Rule of Five, 2-Hydroxy-4-(3-methylpyridyl)-1,3-thiazole-5-carbaldehyde has 0 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 2-Hydroxy-4-(3-methylpyridyl)-1,3-thiazole-5-carbaldehyde is 127868-38-6.
The molecular formula of 2-Hydroxy-4-(3-methylpyridyl)-1,3-thiazole-5-carbaldehyde is C10H8N2O2S.
The molecular weight of 2-Hydroxy-4-(3-methylpyridyl)-1,3-thiazole-5-carbaldehyde is 220.03065 g/mol.
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