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

C10H11BrN4O2S — CID 104708258

IUPAC[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCOc1ccc(OCc2nnsc2NN)c(Br)c1
InChIInChI=1S/C10H11BrN4O2S/c1-16-6-2-3-9(7(11)4-6)17-5-8-10(13-12)18-15-14-8/h2-4,13H,5,12H2,1H3
InChIKeyXCWJIFIIXKNYHT-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.17
Rot. Bonds5

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

[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 104708258) has the molecular formula C10H11BrN4O2S and a molecular weight of 331.20 g/mol. Its IUPAC name is [4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID104708258
Molecular FormulaC10H11BrN4O2S
Molecular Weight331.20 g/mol
Exact Mass329.98
IUPAC Name[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCOc1ccc(OCc2nnsc2NN)c(Br)c1
InChIInChI=1S/C10H11BrN4O2S/c1-16-6-2-3-9(7(11)4-6)17-5-8-10(13-12)18-15-14-8/h2-4,13H,5,12H2,1H3
InChIKeyXCWJIFIIXKNYHT-UHFFFAOYSA-N
XLogP2.17
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
[4-[(4-bromo-3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 83140831
[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 107285504
[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 103202262
[4-[(2-chlorophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244126
[4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245263
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
[4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244101
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62246934
4-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine
CID 114042774
4-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylthiadiazol-5-amine
CID 62193786

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 104708258) is [4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine is COc1ccc(OCc2nnsc2NN)c(Br)c1.
What is the InChIKey of [4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is XCWJIFIIXKNYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S/c1-16-6-2-3-9(7(11)4-6)17-5-8-10(13-12)18-15-14-8/h2-4,13H,5,12H2,1H3.
What are the key properties of [4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 331.20 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 104708258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).