TL;DR: 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate (CAS 136513-94-5) is a chemical compound with molecular formula C11H7BrN3O2S- and molecular weight 323.94424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate
Also Known As: 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate, 2-{(2Z)-2-[(4-Bromophenyl)methylidene]hydrazin-1-yl}-1,3-thiazole-4-carboxylate
| Molecular Formula | C11H7BrN3O2S- |
| Molecular Weight | 323.94424 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.94424 Da |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
| SMILES | C1=CC(=CC=C1/C=N\NC2=NC(=CS2)C(=O)[O-])Br |
| InChIKey | LODFMBWTHJXJNB-ACAGNQJTSA-M |
The XLogP value of 4.1 indicates that 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate is 136513-94-5.
The molecular formula of 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate is C11H7BrN3O2S-.
The molecular weight of 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate is 323.94424 g/mol.
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