3-(1-ethoxyethenyl)-1,2,4-thiadiazole

C6H8N2OS — CID 174881034

IUPAC3-(1-ethoxyethenyl)-1,2,4-thiadiazole
SMILESC=C(OCC)c1ncsn1
InChIInChI=1S/C6H8N2OS/c1-3-9-5(2)6-7-4-10-8-6/h4H,2-3H2,1H3
InChIKeyCJKJOHYDBLQAOI-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.55
Rot. Bonds3

About 3-(1-ethoxyethenyl)-1,2,4-thiadiazole

3-(1-ethoxyethenyl)-1,2,4-thiadiazole (PubChem CID 174881034) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-1,2,4-thiadiazole
PubChem CID174881034
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-(1-ethoxyethenyl)-1,2,4-thiadiazole
SMILESC=C(OCC)c1ncsn1
InChIInChI=1S/C6H8N2OS/c1-3-9-5(2)6-7-4-10-8-6/h4H,2-3H2,1H3
InChIKeyCJKJOHYDBLQAOI-UHFFFAOYSA-N
XLogP1.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(1-ethoxyethenyl)-1,2,4-thiadiazole (CID 174881034) is 3-(1-ethoxyethenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1-ethoxyethenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(1-ethoxyethenyl)-1,2,4-thiadiazole is C=C(OCC)c1ncsn1.
What is the InChIKey of 3-(1-ethoxyethenyl)-1,2,4-thiadiazole?
The InChIKey is CJKJOHYDBLQAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-3-9-5(2)6-7-4-10-8-6/h4H,2-3H2,1H3.
What are the key properties of 3-(1-ethoxyethenyl)-1,2,4-thiadiazole?
3-(1-ethoxyethenyl)-1,2,4-thiadiazole has a molecular weight of 156.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 174881034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).