2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide

C9H6FN5O3S — CID 174576748

IUPAC2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nnc([N+](=O)[O-])s1)c1ccccc1F
InChIInChI=1S/C9H6FN5O3S/c10-6-4-2-1-3-5(6)7(16)11-12-8-13-14-9(19-8)15(17)18/h1-4H,(H,11,16)(H,12,13)
InChIKeyVQVDNPWFZOMKQB-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.34
Rot. Bonds4

About 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide

2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide (PubChem CID 174576748) has the molecular formula C9H6FN5O3S and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide
PubChem CID174576748
Molecular FormulaC9H6FN5O3S
Molecular Weight283.24 g/mol
Exact Mass283.02
IUPAC Name2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nnc([N+](=O)[O-])s1)c1ccccc1F
InChIInChI=1S/C9H6FN5O3S/c10-6-4-2-1-3-5(6)7(16)11-12-8-13-14-9(19-8)15(17)18/h1-4H,(H,11,16)(H,12,13)
InChIKeyVQVDNPWFZOMKQB-UHFFFAOYSA-N
XLogP1.34
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide (CID 174576748) is 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide is O=C(NNc1nnc([N+](=O)[O-])s1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide?
The InChIKey is VQVDNPWFZOMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN5O3S/c10-6-4-2-1-3-5(6)7(16)11-12-8-13-14-9(19-8)15(17)18/h1-4H,(H,11,16)(H,12,13).
What are the key properties of 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide?
2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide has a molecular weight of 283.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide is sourced from PubChem (CID 174576748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).