TL;DR: C14H14FN5O3S (CAS 330819-50-6) is a chemical compound with molecular formula C14H14FN5O3S and molecular weight 351.08014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetamide
Also Known As: BAS 00288675, (E)-N'-(1-(4-fluorophenyl)ethylidene)-2-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)acetohydrazide, N'-[(1E)-1-(4-fluorophenyl)ethylidene]-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetohydrazide, N'-[1-(4-fluorophenyl)ethylidene]-2-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)acetohydrazide
| Molecular Formula | C14H14FN5O3S |
| Molecular Weight | 351.08014 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.08014 Da |
| Heavy Atoms | 24 |
| Complexity | 493.0 |
| SMILES | C/C(=N\NC(=O)CSC1=C(N=CN1C)[N+](=O)[O-])/C2=CC=C(C=C2)F |
| InChIKey | FNWRAPDQZDWSDL-RQZCQDPDSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H14FN5O3S. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H14FN5O3S. Following Lipinski's Rule of Five, C14H14FN5O3S has 1 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 C14H14FN5O3S is 330819-50-6.
The molecular formula of C14H14FN5O3S is C14H14FN5O3S.
The molecular weight of C14H14FN5O3S is 351.08014 g/mol.
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