4-methyl-5-(methylperoxymethyl)thiadiazole

C5H8N2O2S — CID 58773013

IUPAC4-methyl-5-(methylperoxymethyl)thiadiazole
SMILESCOOCc1snnc1C
InChIInChI=1S/C5H8N2O2S/c1-4-5(3-9-8-2)10-7-6-4/h3H2,1-2H3
InChIKeyZCTKKWUXEUKIAC-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.92
Rot. Bonds3

About 4-methyl-5-(methylperoxymethyl)thiadiazole

4-methyl-5-(methylperoxymethyl)thiadiazole (PubChem CID 58773013) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 4-methyl-5-(methylperoxymethyl)thiadiazole.

Molecular Properties

Compound Name4-methyl-5-(methylperoxymethyl)thiadiazole
PubChem CID58773013
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name4-methyl-5-(methylperoxymethyl)thiadiazole
SMILESCOOCc1snnc1C
InChIInChI=1S/C5H8N2O2S/c1-4-5(3-9-8-2)10-7-6-4/h3H2,1-2H3
InChIKeyZCTKKWUXEUKIAC-UHFFFAOYSA-N
XLogP0.92
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylperoxymethyl)thiadiazole?
The IUPAC name of 4-methyl-5-(methylperoxymethyl)thiadiazole (CID 58773013) is 4-methyl-5-(methylperoxymethyl)thiadiazole.
What is the SMILES notation for 4-methyl-5-(methylperoxymethyl)thiadiazole?
The canonical SMILES for 4-methyl-5-(methylperoxymethyl)thiadiazole is COOCc1snnc1C.
What is the InChIKey of 4-methyl-5-(methylperoxymethyl)thiadiazole?
The InChIKey is ZCTKKWUXEUKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-4-5(3-9-8-2)10-7-6-4/h3H2,1-2H3.
What are the key properties of 4-methyl-5-(methylperoxymethyl)thiadiazole?
4-methyl-5-(methylperoxymethyl)thiadiazole has a molecular weight of 160.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylperoxymethyl)thiadiazole is sourced from PubChem (CID 58773013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).