TL;DR: 1-[5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dichlorophenyl)urea (CAS 426238-30-4) is a chemical compound with molecular formula C19H18Cl2N4O2S and molecular weight 436.05276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dichlorophenyl)urea
Also Known As: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dichlorophenyl)urea, 1-(5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl)-3-(2,4-dichlorophenyl)urea, 3-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)urea, 1-[(2Z)-5-(4-butoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2,4-dichlorophenyl)urea, N-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-N'-(2,4-dichlorophenyl)urea
| Molecular Formula | C19H18Cl2N4O2S |
| Molecular Weight | 436.05276 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.05276 Da |
| Heavy Atoms | 28 |
| Complexity | 497.0 |
| SMILES | CCCCOC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl |
| InChIKey | KALDBRYWZUSMDG-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 1-[5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dichlorophenyl)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-Butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dichlorophenyl)urea. Following Lipinski's Rule of Five, 1-[5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dichlorophenyl)urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dichlorophenyl)urea is 426238-30-4.
The molecular formula of 1-[5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dichlorophenyl)urea is C19H18Cl2N4O2S.
The molecular weight of 1-[5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dichlorophenyl)urea is 436.05276 g/mol.
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