5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole

C8H14N2OS — CID 58970602

IUPAC5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCCOc1nc(CC(C)C)ns1
InChIInChI=1S/C8H14N2OS/c1-4-11-8-9-7(10-12-8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyWQLFKQGVHKZRML-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.14
Rot. Bonds4

About 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole

5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 58970602) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole
PubChem CID58970602
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCCOc1nc(CC(C)C)ns1
InChIInChI=1S/C8H14N2OS/c1-4-11-8-9-7(10-12-8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyWQLFKQGVHKZRML-UHFFFAOYSA-N
XLogP2.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole (CID 58970602) is 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole is CCOc1nc(CC(C)C)ns1.
What is the InChIKey of 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is WQLFKQGVHKZRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-4-11-8-9-7(10-12-8)5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole?
5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 186.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 58970602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).