TL;DR: 1,3-Thiazole-5-carbaldehyde (CAS 1003-32-3) is a chemical compound with molecular formula C4H3NOS and molecular weight 112.99354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-thiazole-5-carbaldehyde
Also Known As: Thiazole-5-carboxaldehyde, Thiazole-5-carbaldehyde, 5-Thiazolecarboxaldehyde, 1,3-thiazole-5-carbaldehyde, thiazole-5-carboxyaldehyde
| Molecular Formula | C4H3NOS |
| Molecular Weight | 112.99354 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.99354 Da |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
| SMILES | C1=C(SC=N1)C=O |
| InChIKey | ZXRLWHGLEJGMNO-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Thiazole-5-carbaldehyde. With a topological polar surface area (TPSA) of 58.2 Ų, 1,3-Thiazole-5-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Thiazole-5-carbaldehyde has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Thiazole-5-carbaldehyde is 1003-32-3.
The molecular formula of 1,3-Thiazole-5-carbaldehyde is C4H3NOS.
The molecular weight of 1,3-Thiazole-5-carbaldehyde is 112.99354 g/mol.
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