TL;DR: 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanamide (CAS 145412-69-7) is a chemical compound with molecular formula C12H14BrN3OS and molecular weight 327.0041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(4-bromophenyl)-2-sulfanylideneimidazolidin-1-yl]propanamide
Also Known As: 3-[3-(4-bromophenyl)-2-thioxoimidazolidin-1-yl]propanamide, 3-[3-(4-bromophenyl)-2-thioxoimidazolidinyl]propanamide, 3-[3-(4-bromophenyl)-2-thioxo-1-imidazolidinyl]propanamide, 3-[3-(4-bromophenyl)-2-sulfanylideneimidazolidin-1-yl]propanamide
| Molecular Formula | C12H14BrN3OS |
| Molecular Weight | 327.0041 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0041 Da |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
| SMILES | C1CN(C(=S)N1CCC(=O)N)C2=CC=C(C=C2)Br |
| InChIKey | NPPRRJZMWAIDSR-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanamide. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanamide. Following Lipinski's Rule of Five, 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanamide is 145412-69-7.
The molecular formula of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanamide is C12H14BrN3OS.
The molecular weight of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanamide is 327.0041 g/mol.
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