AC1Q5JKT
[5-(3-chlorophenyl)sulfanyl-4-(1-cyanoethyl)-1-methylimidazol-2-yl]methyl carbamate
Also Known As: KST-1B1121|{5-[(3-chlorophenyl)sulfanyl]-4-(1-cyanoethyl)-1-methyl-1h-imidazol-2-yl}methyl carbamate|1H-Imidazole-4-acetonitrile, 2-(((aminocarbonyl)oxy)methyl)-5-((3-chlorophenyl)thio)-alpha,1-dimethyl-|(5-((3-Chlorophenyl)thio)-4-(1-cyanoethyl)-1-methyl-1H-imidazol-2-yl)methyl carbamate|[5-(3-chlorophenyl)sulfanyl-4-(1-cyanoethyl)-1-methyl-imidazol-2-yl]methyl carbamate|[5-(3-chlorophenyl)sulfanyl-4-(1-cyanoethyl)-1-methylimidazol-2-yl]methyl carbamate|{5-[(3-Chlorophenyl)sulfanyl]-4-(1-cyanoethyl)-1-methyl-1H-imidazol-2-yl}methyl hydrogen carbonimidate|1H-Imidazole-4-acetonitrile, 2-[[(aminocarbonyl)oxy]methyl]-5-[(3-chlorophenyl)thio]-.alpha.,1-dimethyl-
| Molecular Formula | C15H15ClN4O2S |
|---|---|
| Molecular Weight | 350.06042 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.06042 |
| Monoisotopic Mass | 350.06042 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 17954-24-4 |
|---|---|
| SMILES | CC(C#N)C1=C(N(C(=N1)COC(=O)N)C)SC2=CC(=CC=C2)Cl |
| InChIKey | HCPYXEGPJDJDPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1Q5JKT (CAS 17954-24-4), with molecular formula C15H15ClN4O2S and molecular weight 350.06042 g/mol. IUPAC: [5-(3-chlorophenyl)sulfanyl-4-(1-cyanoethyl)-1-methylimidazol-2-yl]methyl carbamate.