[4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine

C10H12N4O3S2 — CID 62244101

IUPAC[4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCS(=O)(=O)c1ccc(OCc2nnsc2NN)cc1
InChIInChI=1S/C10H12N4O3S2/c1-19(15,16)8-4-2-7(3-5-8)17-6-9-10(12-11)18-14-13-9/h2-5,12H,6,11H2,1H3
InChIKeyQAIRXHXIRVHKBK-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.81
Rot. Bonds5

About [4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62244101) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is [4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62244101
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name[4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCS(=O)(=O)c1ccc(OCc2nnsc2NN)cc1
InChIInChI=1S/C10H12N4O3S2/c1-19(15,16)8-4-2-7(3-5-8)17-6-9-10(12-11)18-14-13-9/h2-5,12H,6,11H2,1H3
InChIKeyQAIRXHXIRVHKBK-UHFFFAOYSA-N
XLogP0.81
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 62244101) is [4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine is CS(=O)(=O)c1ccc(OCc2nnsc2NN)cc1.
What is the InChIKey of [4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is QAIRXHXIRVHKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-19(15,16)8-4-2-7(3-5-8)17-6-9-10(12-11)18-14-13-9/h2-5,12H,6,11H2,1H3.
What are the key properties of [4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 300.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62244101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).