TL;DR: (2Z)-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CAS 124301-11-7) is a chemical compound with molecular formula C16H9N3O3S and molecular weight 323.03647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: BAS 00437027, 2-(3-nitrobenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one, (2Z)-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one, (Z)-2-(3-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one, 2-(3-Nitro-benzylidene)-benzo[4,5]imidazo[2,1-b]thiazol-3-one
| Molecular Formula | C16H9N3O3S |
| Molecular Weight | 323.03647 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.03647 Da |
| Heavy Atoms | 23 |
| Complexity | 547.0 |
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/S3 |
| InChIKey | XBMKPBKZDSJTCY-ZROIWOOFSA-N |
The XLogP value of 3.9 indicates that (2Z)-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one. Following Lipinski's Rule of Five, (2Z)-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has 0 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 (2Z)-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is 124301-11-7.
The molecular formula of (2Z)-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is C16H9N3O3S.
The molecular weight of (2Z)-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is 323.03647 g/mol.
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