3-ethyl-5-methyl-1,2,4-thiadiazole

C5H8N2S — CID 22947825

IUPAC3-ethyl-5-methyl-1,2,4-thiadiazole
SMILESCCc1nsc(C)n1
InChIInChI=1S/C5H8N2S/c1-3-5-6-4(2)8-7-5/h3H2,1-2H3
InChIKeyJFQIQVLTZXGDKS-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.41
Rot. Bonds1

About 3-ethyl-5-methyl-1,2,4-thiadiazole

3-ethyl-5-methyl-1,2,4-thiadiazole (PubChem CID 22947825) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-methyl-1,2,4-thiadiazole
PubChem CID22947825
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name3-ethyl-5-methyl-1,2,4-thiadiazole
SMILESCCc1nsc(C)n1
InChIInChI=1S/C5H8N2S/c1-3-5-6-4(2)8-7-5/h3H2,1-2H3
InChIKeyJFQIQVLTZXGDKS-UHFFFAOYSA-N
XLogP1.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-methyl-1,2,4-thiadiazole (CID 22947825) is 3-ethyl-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-methyl-1,2,4-thiadiazole is CCc1nsc(C)n1.
What is the InChIKey of 3-ethyl-5-methyl-1,2,4-thiadiazole?
The InChIKey is JFQIQVLTZXGDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-3-5-6-4(2)8-7-5/h3H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-1,2,4-thiadiazole?
3-ethyl-5-methyl-1,2,4-thiadiazole has a molecular weight of 128.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 22947825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).