[4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine

C9H8BrFN4OS — CID 62245646

IUPAC[4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COc1ccc(Br)cc1F
InChIInChI=1S/C9H8BrFN4OS/c10-5-1-2-8(6(11)3-5)16-4-7-9(13-12)17-15-14-7/h1-3,13H,4,12H2
InChIKeyNWBGWJODLZYURX-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.30
Rot. Bonds4

About [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62245646) has the molecular formula C9H8BrFN4OS and a molecular weight of 319.16 g/mol. Its IUPAC name is [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62245646
Molecular FormulaC9H8BrFN4OS
Molecular Weight319.16 g/mol
Exact Mass317.96
IUPAC Name[4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COc1ccc(Br)cc1F
InChIInChI=1S/C9H8BrFN4OS/c10-5-1-2-8(6(11)3-5)16-4-7-9(13-12)17-15-14-7/h1-3,13H,4,12H2
InChIKeyNWBGWJODLZYURX-UHFFFAOYSA-N
XLogP2.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 62245646) is [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine is NNc1snnc1COc1ccc(Br)cc1F.
What is the InChIKey of [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is NWBGWJODLZYURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4OS/c10-5-1-2-8(6(11)3-5)16-4-7-9(13-12)17-15-14-7/h1-3,13H,4,12H2.
What are the key properties of [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 319.16 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).