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

C10H9FN4O3S — CID 79765434

IUPAC[5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc([N+](=O)[O-])cc2F)s1
InChIInChI=1S/C10H9FN4O3S/c11-8-3-6(15(16)17)1-2-9(8)18-5-7-4-13-10(14-12)19-7/h1-4H,5,12H2,(H,13,14)
InChIKeyQWMILIYHJVTIRG-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.06
Rot. Bonds5

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

[5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765434) has the molecular formula C10H9FN4O3S and a molecular weight of 284.27 g/mol. Its IUPAC name is [5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79765434
Molecular FormulaC10H9FN4O3S
Molecular Weight284.27 g/mol
Exact Mass284.04
IUPAC Name[5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc([N+](=O)[O-])cc2F)s1
InChIInChI=1S/C10H9FN4O3S/c11-8-3-6(15(16)17)1-2-9(8)18-5-7-4-13-10(14-12)19-7/h1-4H,5,12H2,(H,13,14)
InChIKeyQWMILIYHJVTIRG-UHFFFAOYSA-N
XLogP2.06
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764786
[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 103589477
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79761294
[5-[(2-bromo-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764417
[5-[(2,3-difluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765837
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764788
[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765443
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665
5-[(2-fluoro-4-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63571230
3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570865
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole
CID 79764621

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79765434) is [5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2ccc([N+](=O)[O-])cc2F)s1.
What is the InChIKey of [5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is QWMILIYHJVTIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3S/c11-8-3-6(15(16)17)1-2-9(8)18-5-7-4-13-10(14-12)19-7/h1-4H,5,12H2,(H,13,14).
What are the key properties of [5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 284.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).