TL;DR: 1-(4-(6-Nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)-2-(phenylthio)ethanone (CAS 897474-23-6) is a chemical compound with molecular formula C19H18N4O3S2 and molecular weight 414.08203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanylethanone
Also Known As: F2609-1162, 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylsulfanyl)ethan-1-one, 1-(4-(6-nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)-2-(phenylthio)ethanone, 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanylethanone
| Molecular Formula | C19H18N4O3S2 |
| Molecular Weight | 414.08203 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.08203 Da |
| Heavy Atoms | 28 |
| Complexity | 562.0 |
| SMILES | C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CSC4=CC=CC=C4 |
| InChIKey | IPCAMCACZVIWDP-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 1-(4-(6-Nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)-2-(phenylthio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(6-Nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)-2-(phenylthio)ethanone. Following Lipinski's Rule of Five, 1-(4-(6-Nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)-2-(phenylthio)ethanone has 0 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 1-(4-(6-Nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)-2-(phenylthio)ethanone is 897474-23-6.
The molecular formula of 1-(4-(6-Nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)-2-(phenylthio)ethanone is C19H18N4O3S2.
The molecular weight of 1-(4-(6-Nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)-2-(phenylthio)ethanone is 414.08203 g/mol.
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