| Pubchem ID | 17397239 |
|---|---|
| CAS | 1302-78-9 |
| IUPAC name | N-[2-(2-fluorophenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide |
| Synonyms | - |
| Categories | Dough conditioning agent |
| SMILES | C1=CC=C(C(=C1)CCNC(=O)CC2=CSC(=N2)C3=CC=CS3)F |
| InCheykey | InChI=1S/C17H15FN2OS2/c18-14-5-2-1-4-12(14)7-8-19-16(21)10-13-11-23-17(20-13)15-6-3-9-22-15/h1-6,9,11H,7-8,10H2,(H,19,21) |
| Natural | nan |
| E No. | E558 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 346.438 | 1 | 5 | 6 | 98.5 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |