3,5-diethyl-1,2,4-thiadiazole

C6H10N2S — CID 67571441

IUPAC3,5-diethyl-1,2,4-thiadiazole
SMILESCCc1nsc(CC)n1
InChIInChI=1S/C6H10N2S/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3
InChIKeyQERSKHJQSDBZGJ-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.66
Rot. Bonds2

About 3,5-diethyl-1,2,4-thiadiazole

3,5-diethyl-1,2,4-thiadiazole (PubChem CID 67571441) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3,5-diethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-diethyl-1,2,4-thiadiazole
PubChem CID67571441
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3,5-diethyl-1,2,4-thiadiazole
SMILESCCc1nsc(CC)n1
InChIInChI=1S/C6H10N2S/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3
InChIKeyQERSKHJQSDBZGJ-UHFFFAOYSA-N
XLogP1.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1,2,4-thiadiazole?
The IUPAC name of 3,5-diethyl-1,2,4-thiadiazole (CID 67571441) is 3,5-diethyl-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-diethyl-1,2,4-thiadiazole?
The canonical SMILES for 3,5-diethyl-1,2,4-thiadiazole is CCc1nsc(CC)n1.
What is the InChIKey of 3,5-diethyl-1,2,4-thiadiazole?
The InChIKey is QERSKHJQSDBZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-1,2,4-thiadiazole?
3,5-diethyl-1,2,4-thiadiazole has a molecular weight of 142.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1,2,4-thiadiazole is sourced from PubChem (CID 67571441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).