3-ethoxy-1,2,4-thiadiazole

C4H6N2OS — CID 20511900

IUPAC3-ethoxy-1,2,4-thiadiazole
SMILESCCOc1ncsn1
InChIInChI=1S/C4H6N2OS/c1-2-7-4-5-3-8-6-4/h3H,2H2,1H3
InChIKeyJWGMGCSAIVRKCT-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.94
Rot. Bonds2

About 3-ethoxy-1,2,4-thiadiazole

3-ethoxy-1,2,4-thiadiazole (PubChem CID 20511900) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-ethoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethoxy-1,2,4-thiadiazole
PubChem CID20511900
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name3-ethoxy-1,2,4-thiadiazole
SMILESCCOc1ncsn1
InChIInChI=1S/C4H6N2OS/c1-2-7-4-5-3-8-6-4/h3H,2H2,1H3
InChIKeyJWGMGCSAIVRKCT-UHFFFAOYSA-N
XLogP0.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2,4-thiadiazole?
The IUPAC name of 3-ethoxy-1,2,4-thiadiazole (CID 20511900) is 3-ethoxy-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethoxy-1,2,4-thiadiazole?
The canonical SMILES for 3-ethoxy-1,2,4-thiadiazole is CCOc1ncsn1.
What is the InChIKey of 3-ethoxy-1,2,4-thiadiazole?
The InChIKey is JWGMGCSAIVRKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-2-7-4-5-3-8-6-4/h3H,2H2,1H3.
What are the key properties of 3-ethoxy-1,2,4-thiadiazole?
3-ethoxy-1,2,4-thiadiazole has a molecular weight of 130.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2,4-thiadiazole is sourced from PubChem (CID 20511900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).