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

C5H8N2OS — CID 139497480

IUPAC3-ethyl-5-methoxy-1,2,4-thiadiazole
SMILESCCc1nsc(OC)n1
InChIInChI=1S/C5H8N2OS/c1-3-4-6-5(8-2)9-7-4/h3H2,1-2H3
InChIKeyDAXKIOBSXAVPKU-UHFFFAOYSA-N
MW144.20 g/mol
LogP1.11
Rot. Bonds2

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

3-ethyl-5-methoxy-1,2,4-thiadiazole (PubChem CID 139497480) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-methoxy-1,2,4-thiadiazole
PubChem CID139497480
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name3-ethyl-5-methoxy-1,2,4-thiadiazole
SMILESCCc1nsc(OC)n1
InChIInChI=1S/C5H8N2OS/c1-3-4-6-5(8-2)9-7-4/h3H2,1-2H3
InChIKeyDAXKIOBSXAVPKU-UHFFFAOYSA-N
XLogP1.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-methoxy-1,2,4-thiadiazole (CID 139497480) is 3-ethyl-5-methoxy-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-methoxy-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-methoxy-1,2,4-thiadiazole is CCc1nsc(OC)n1.
What is the InChIKey of 3-ethyl-5-methoxy-1,2,4-thiadiazole?
The InChIKey is DAXKIOBSXAVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-3-4-6-5(8-2)9-7-4/h3H2,1-2H3.
What are the key properties of 3-ethyl-5-methoxy-1,2,4-thiadiazole?
3-ethyl-5-methoxy-1,2,4-thiadiazole has a molecular weight of 144.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-1,2,4-thiadiazole is sourced from PubChem (CID 139497480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).