TL;DR: 1-[5-[(4-Ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea (CAS 426251-59-4) is a chemical compound with molecular formula C18H17FN4O2S and molecular weight 372.10562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
Also Known As: AB00105743-01, 1-[5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea, 1-{5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea, 1-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, Cambridge id 6371651
| Molecular Formula | C18H17FN4O2S |
| Molecular Weight | 372.10562 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.10562 Da |
| Heavy Atoms | 26 |
| Complexity | 443.0 |
| SMILES | CCC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F |
| InChIKey | SMWTTZCBVGGWFR-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1-[5-[(4-Ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-[(4-Ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-[5-[(4-Ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea has 2 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 1-[5-[(4-Ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is 426251-59-4.
The molecular formula of 1-[5-[(4-Ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is C18H17FN4O2S.
The molecular weight of 1-[5-[(4-Ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is 372.10562 g/mol.
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