TL;DR: (5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one (CAS 1164463-27-7) is a chemical compound with molecular formula C18H13N3O2S2 and molecular weight 367.04492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-one
Also Known As: (5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one, (5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-one, (Z)-5-benzylidene-3-(6-methoxybenzo[d]thiazol-2-yl)-2-thioxoimidazolidin-4-one, 3-(6-Methoxy-benzothiazol-2-yl)-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-imidazolidin-4-one
| Molecular Formula | C18H13N3O2S2 |
| Molecular Weight | 367.04492 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.04492 Da |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
| SMILES | COC1=CC2=C(C=C1)N=C(S2)N3C(=O)/C(=C/C4=CC=CC=C4)/NC3=S |
| InChIKey | YMLMTOHIXPTGLW-ZROIWOOFSA-N |
The XLogP value of 4.2 indicates that (5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one is 1164463-27-7.
The molecular formula of (5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one is C18H13N3O2S2.
The molecular weight of (5Z)-5-benzylidene-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one is 367.04492 g/mol.
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