TL;DR: Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]- (CAS 104742-64-5) is a chemical compound with molecular formula C12H10N2O3S and molecular weight 262.0412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
Also Known As: tert-butyl p-tolyl carbonate, BAS 00276521, Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]-, N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide, N-{4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}acetamide
| Molecular Formula | C12H10N2O3S |
| Molecular Weight | 262.0412 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0412 Da |
| Heavy Atoms | 18 |
| Complexity | 412.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C=C2C(=O)NC(=O)S2 |
| InChIKey | MDVDGMUCUQUBHY-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]-. Following Lipinski's Rule of Five, Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]- has 2 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 Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]- is 104742-64-5.
The molecular formula of Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]- is C12H10N2O3S.
The molecular weight of Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]- is 262.0412 g/mol.
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