TL;DR: 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-3-yl)- (CAS 139477-37-5) is a chemical compound with molecular formula C15H14ClN3O2S and molecular weight 335.04953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
Also Known As: 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-3-yl)-, 3-(4-Chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-3-yl)-2,5-pyrrolidinedione, 3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione, 1-(5-Propyl-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)pyrrolidine-2,5-dione, BRN 4822803
| Molecular Formula | C15H14ClN3O2S |
| Molecular Weight | 335.04953 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.04953 Da |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
| SMILES | CCCC1=NN=C(S1)N2C(=O)CC(C2=O)C3=CC=C(C=C3)Cl |
| InChIKey | RKYBHVSUGDDORZ-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-3-yl)-. Following Lipinski's Rule of Five, 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-3-yl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-3-yl)- is 139477-37-5.
The molecular formula of 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-3-yl)- is C15H14ClN3O2S.
The molecular weight of 2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-(5-propyl-1,3,4-thiadiazol-3-yl)- is 335.04953 g/mol.
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