TL;DR: (2Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile (CAS 106642-94-8) is a chemical compound with molecular formula C18H10N4OS3 and molecular weight 394.00168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-5-amino-3-oxo-7-thiophen-2-yl-2-(thiophen-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Also Known As: (2Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (2Z)-5-amino-3-oxo-7-thiophen-2-yl-2-(thiophen-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (Z)-5-Amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylene)-2,3-dihydro-7H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylene)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, 5-Amino-3-oxo-7-thiophen-2-yl-2-[1-thiophen-2-yl-meth-(Z)-ylidene]-2,3-dihydro-7H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
| Molecular Formula | C18H10N4OS3 |
| Molecular Weight | 394.00168 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.00168 Da |
| Heavy Atoms | 26 |
| Complexity | 856.0 |
| SMILES | C1=CSC(=C1)/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC=CS4)C#N)N |
| InChIKey | YKVPEDPSIBRJCY-AUWJEWJLSA-N |
The XLogP value of 3.1 indicates that (2Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting (2Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is 106642-94-8.
The molecular formula of (2Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is C18H10N4OS3.
The molecular weight of (2Z)-5-amino-3-oxo-7-(thiophen-2-yl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is 394.00168 g/mol.
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