[5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

C9H8FN5O3S — CID 80614218

IUPAC[5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COc2ccc(F)cc2[N+](=O)[O-])s1
InChIInChI=1S/C9H8FN5O3S/c10-5-1-2-7(6(3-5)15(16)17)18-4-8-13-14-9(12-11)19-8/h1-3H,4,11H2,(H,12,14)
InChIKeyGFOKUHAHRNEXGZ-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.45
Rot. Bonds5

About [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80614218) has the molecular formula C9H8FN5O3S and a molecular weight of 285.26 g/mol. Its IUPAC name is [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80614218
Molecular FormulaC9H8FN5O3S
Molecular Weight285.26 g/mol
Exact Mass285.03
IUPAC Name[5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COc2ccc(F)cc2[N+](=O)[O-])s1
InChIInChI=1S/C9H8FN5O3S/c10-5-1-2-7(6(3-5)15(16)17)18-4-8-13-14-9(12-11)19-8/h1-3H,4,11H2,(H,12,14)
InChIKeyGFOKUHAHRNEXGZ-UHFFFAOYSA-N
XLogP1.45
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[5-[(4-methoxy-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613395
[5-[(4-methoxy-3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 103202266
[5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 114418086
[5-[(2,5-dimethyl-4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614117
5-[(4-bromo-2-nitrophenoxy)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80614242
[5-[(3-methyl-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613612
5-[(4-bromo-2-nitrophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614138
[5-[(2,4-dimethyl-6-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614104
[5-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614326
5-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 103484074
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338
5-[(4,5-dichloro-2-nitrophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 107501543

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80614218) is [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(COc2ccc(F)cc2[N+](=O)[O-])s1.
What is the InChIKey of [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is GFOKUHAHRNEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O3S/c10-5-1-2-7(6(3-5)15(16)17)18-4-8-13-14-9(12-11)19-8/h1-3H,4,11H2,(H,12,14).
What are the key properties of [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 285.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80614218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).