TL;DR: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile (CAS 1321697-63-5) is a chemical compound with molecular formula C17H10N2O2S2 and molecular weight 338.01837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
Also Known As: AB00090652-01, F0760-1061, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile, (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile, (2E)-2-[4-(2H-1,3-BENZODIOXOL-5-YL)-1,3-THIAZOL-2-YL]-3-(THIOPHEN-2-YL)PROP-2-ENENITRILE
| Molecular Formula | C17H10N2O2S2 |
| Molecular Weight | 338.01837 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.01837 Da |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C/C4=CC=CS4)/C#N |
| InChIKey | JLPSPWFPPPHKKY-WUXMJOGZSA-N |
The XLogP value of 4.0 indicates that (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile is 1321697-63-5.
The molecular formula of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile is C17H10N2O2S2.
The molecular weight of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile is 338.01837 g/mol.
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