TL;DR: Thiazolylalanine (CAS 131896-42-9) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoic acid
Also Known As: Thiazolylalanine, L-4-Thiazolylalanine, 3-(4-Thiazolyl)-L-alanine, l-Thiazolylalanine, (S)-2-Amino-3-(thiazol-4-yl)propanoic acid
| Molecular Formula | C6H8N2O2S |
| Molecular Weight | 172.03065 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.03065 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| SMILES | C1=C(N=CS1)C[C@@H](C(=O)O)N |
| InChIKey | WBZIGVCQRXJYQD-YFKPBYRVSA-N |
The XLogP value of -2.3 indicates that Thiazolylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazolylalanine. Following Lipinski's Rule of Five, Thiazolylalanine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thiazolylalanine is 131896-42-9.
The molecular formula of Thiazolylalanine is C6H8N2O2S.
The molecular weight of Thiazolylalanine is 172.03065 g/mol.
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