TL;DR: (Z)-N-(3-allyl-4-ethoxybenzo[d]thiazol-2(3H)-ylidene)-4-methylbenzamide (CAS 1321787-77-2) is a chemical compound with molecular formula C20H20N2O2S and molecular weight 352.12454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
Also Known As: (Z)-N-(3-allyl-4-ethoxybenzo[d]thiazol-2(3H)-ylidene)-4-methylbenzamide, F1815-0029, N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide, N-[(2Z)-4-ethoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
| Molecular Formula | C20H20N2O2S |
| Molecular Weight | 352.12454 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.12454 Da |
| Heavy Atoms | 25 |
| Complexity | 514.0 |
| SMILES | CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C)N2CC=C |
| InChIKey | IHPRRXSASZXUJO-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that (Z)-N-(3-allyl-4-ethoxybenzo[d]thiazol-2(3H)-ylidene)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-allyl-4-ethoxybenzo[d]thiazol-2(3H)-ylidene)-4-methylbenzamide. Following Lipinski's Rule of Five, (Z)-N-(3-allyl-4-ethoxybenzo[d]thiazol-2(3H)-ylidene)-4-methylbenzamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-N-(3-allyl-4-ethoxybenzo[d]thiazol-2(3H)-ylidene)-4-methylbenzamide is 1321787-77-2.
The molecular formula of (Z)-N-(3-allyl-4-ethoxybenzo[d]thiazol-2(3H)-ylidene)-4-methylbenzamide is C20H20N2O2S.
The molecular weight of (Z)-N-(3-allyl-4-ethoxybenzo[d]thiazol-2(3H)-ylidene)-4-methylbenzamide is 352.12454 g/mol.
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