5-ethyl-1,2,4-thiadiazole

C4H6N2S — CID 23552424

IUPAC5-ethyl-1,2,4-thiadiazole
SMILESCCc1ncns1
InChIInChI=1S/C4H6N2S/c1-2-4-5-3-6-7-4/h3H,2H2,1H3
InChIKeyAIZPKDNTVBMGGD-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.10
Rot. Bonds1

About 5-ethyl-1,2,4-thiadiazole

5-ethyl-1,2,4-thiadiazole (PubChem CID 23552424) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 5-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethyl-1,2,4-thiadiazole
PubChem CID23552424
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name5-ethyl-1,2,4-thiadiazole
SMILESCCc1ncns1
InChIInChI=1S/C4H6N2S/c1-2-4-5-3-6-7-4/h3H,2H2,1H3
InChIKeyAIZPKDNTVBMGGD-UHFFFAOYSA-N
XLogP1.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-ethyl-1,2,4-thiadiazole (CID 23552424) is 5-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-ethyl-1,2,4-thiadiazole is CCc1ncns1.
What is the InChIKey of 5-ethyl-1,2,4-thiadiazole?
The InChIKey is AIZPKDNTVBMGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-2-4-5-3-6-7-4/h3H,2H2,1H3.
What are the key properties of 5-ethyl-1,2,4-thiadiazole?
5-ethyl-1,2,4-thiadiazole has a molecular weight of 114.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 23552424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).