TL;DR: Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl- (CAS 106141-32-6) is a chemical compound with molecular formula C8H12ClN3OS and molecular weight 233.03896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylcarbamoyl chloride
Also Known As: J1.552.735H, Carbamic chloride, (5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)methyl-, (5-tert-Butyl-1,3,4-thiadiazol-2-yl)methylcarbamic chloride, Carbamic chloride, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N-methyl-, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylcarbamoyl chloride
| Molecular Formula | C8H12ClN3OS |
| Molecular Weight | 233.03896 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.03896 Da |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
| SMILES | CC(C)(C)C1=NN=C(S1)N(C)C(=O)Cl |
| InChIKey | HBHLQGBZOYCPHE-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-. Following Lipinski's Rule of Five, Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl- is 106141-32-6.
The molecular formula of Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl- is C8H12ClN3OS.
The molecular weight of Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl- is 233.03896 g/mol.
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