TL;DR: 4-Amino-2-methylthio-5-nitrothiazole (CAS 127346-42-3) is a chemical compound with molecular formula C4H5N3O2S2 and molecular weight 190.98232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanyl-5-nitro-1,3-thiazol-4-amine
Also Known As: 4-Amino-2-methylthio-5-nitrothiazole, 2-(methylthio)-5-nitrothiazol-4-amine, 2-methylsulfanyl-5-nitro-1,3-thiazol-4-amine, 4-Thiazolamine,2-(methylthio)-5-nitro-, 4-Thiazolamine, 2-(methylthio)-5-nitro-
| Molecular Formula | C4H5N3O2S2 |
| Molecular Weight | 190.98232 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.98232 Da |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
| SMILES | CSC1=NC(=C(S1)[N+](=O)[O-])N |
| InChIKey | ZPCLHYJMLDEAHT-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-methylthio-5-nitrothiazole. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-methylthio-5-nitrothiazole. Following Lipinski's Rule of Five, 4-Amino-2-methylthio-5-nitrothiazole 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 4-Amino-2-methylthio-5-nitrothiazole is 127346-42-3.
The molecular formula of 4-Amino-2-methylthio-5-nitrothiazole is C4H5N3O2S2.
The molecular weight of 4-Amino-2-methylthio-5-nitrothiazole is 190.98232 g/mol.
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