TL;DR: Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-(2-thienyl)- (CAS 63815-78-1) is a chemical compound with molecular formula C18H13NOS2 and molecular weight 323.04385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylethanone
Also Known As: Ethanone, 2-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-(2-thienyl)-, ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1h)-ylidene)-1-(2-thienyl)-, 2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylethanone
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H13NOS2 |
| Molecular Weight | 323.04385 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.04385 Da |
| Heavy Atoms | 22 |
| Complexity | 478.0 |
| SMILES | CN1C(=CC(=O)C2=CC=CS2)SC3=C1C4=CC=CC=C4C=C3 |
| InChIKey | IZCYTEDHJCNZFO-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-(2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-(2-thienyl)-. Following Lipinski's Rule of Five, Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-(2-thienyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-(2-thienyl)- is 63815-78-1.
The molecular formula of Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-(2-thienyl)- is C18H13NOS2.
The molecular weight of Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-(2-thienyl)- is 323.04385 g/mol.
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