TL;DR: (Z)-N'-(2-nitrophenyl)-4-(3-nitrophenyl)thiazole-2-carbohydrazonoyl cyanide (CAS 477193-80-9) is a chemical compound with molecular formula C17H10N6O4S and molecular weight 394.04843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-N-(2-nitroanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
Also Known As: (Z)-N'-(2-nitrophenyl)-4-(3-nitrophenyl)thiazole-2-carbohydrazonoyl cyanide, F0760-2679, (Z)-N-(2-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazole-2-carbohydrazonoyl cyanide, (2Z)-N-(2-nitroanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide, 2-[(2-nitrophenyl)hydrazinylidene]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile
| Molecular Formula | C17H10N6O4S |
| Molecular Weight | 394.04843 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.04843 Da |
| Heavy Atoms | 28 |
| Complexity | 669.0 |
| SMILES | C1=CC=C(C(=C1)N/N=C(/C#N)\C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GAJIRMRBWZGLEW-STZFKDTASA-N |
The XLogP value of 4.9 indicates that (Z)-N'-(2-nitrophenyl)-4-(3-nitrophenyl)thiazole-2-carbohydrazonoyl cyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting (Z)-N'-(2-nitrophenyl)-4-(3-nitrophenyl)thiazole-2-carbohydrazonoyl cyanide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-N'-(2-nitrophenyl)-4-(3-nitrophenyl)thiazole-2-carbohydrazonoyl cyanide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-N'-(2-nitrophenyl)-4-(3-nitrophenyl)thiazole-2-carbohydrazonoyl cyanide is 477193-80-9.
The molecular formula of (Z)-N'-(2-nitrophenyl)-4-(3-nitrophenyl)thiazole-2-carbohydrazonoyl cyanide is C17H10N6O4S.
The molecular weight of (Z)-N'-(2-nitrophenyl)-4-(3-nitrophenyl)thiazole-2-carbohydrazonoyl cyanide is 394.04843 g/mol.
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