| Pubchem ID | 47208364 |
|---|---|
| CAS | 8007-80-5 |
| IUPAC name | N-(4-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC1=C(SC=N1)C(=O)NC2=CC=C(C=C2)I |
| InCheykey | InChI=1S/C11H9IN2OS/c1-7-10(16-6-13-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 344.17 | 1 | 3 | 2 | 70.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |