TL;DR: 4-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde (CAS 127406-11-5) is a chemical compound with molecular formula C11H9NOS and molecular weight 203.04048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde
Also Known As: 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde, starbld0016641, 4-(2-Methylthiazol-4-yl)benzaldehyde, Benzaldehyde,4-(2-methyl-4-thiazolyl)-, Benzaldehyde, 4-(2-methyl-4-thiazolyl)-
| Molecular Formula | C11H9NOS |
| Molecular Weight | 203.04048 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.04048 Da |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
| SMILES | CC1=NC(=CS1)C2=CC=C(C=C2)C=O |
| InChIKey | KZEOQFIBKXJGEX-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde. With a topological polar surface area (TPSA) of 58.2 Ų, 4-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde 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 4-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde is 127406-11-5.
The molecular formula of 4-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde is C11H9NOS.
The molecular weight of 4-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde is 203.04048 g/mol.
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