TL;DR: (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(naphthalen-1-ylamino)acrylonitrile (CAS 1321863-41-5) is a chemical compound with molecular formula C23H15N3O2S and molecular weight 397.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile
Also Known As: (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(naphthalen-1-ylamino)acrylonitrile, F0760-2220, (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile, (2Z)-2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(naphthalen-1-yl)amino]prop-2-enenitrile
| Molecular Formula | C23H15N3O2S |
| Molecular Weight | 397.0885 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.0885 Da |
| Heavy Atoms | 29 |
| Complexity | 662.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C\NC4=CC=CC5=CC=CC=C54)/C#N |
| InChIKey | CUOYHHRUQJNPDO-ATVHPVEESA-N |
The XLogP value of 5.7 indicates that (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(naphthalen-1-ylamino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(naphthalen-1-ylamino)acrylonitrile. Following Lipinski's Rule of Five, (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(naphthalen-1-ylamino)acrylonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(naphthalen-1-ylamino)acrylonitrile is 1321863-41-5.
The molecular formula of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(naphthalen-1-ylamino)acrylonitrile is C23H15N3O2S.
The molecular weight of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(naphthalen-1-ylamino)acrylonitrile is 397.0885 g/mol.
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