2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine

C6H11N3S — CID 65280810

IUPAC2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESCCc1nsc(CCN)n1
InChIInChI=1S/C6H11N3S/c1-2-5-8-6(3-4-7)10-9-5/h2-4,7H2,1H3
InChIKeyLIRCONDFYRUHLD-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.60
Rot. Bonds3

About 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine

2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine (PubChem CID 65280810) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
PubChem CID65280810
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESCCc1nsc(CCN)n1
InChIInChI=1S/C6H11N3S/c1-2-5-8-6(3-4-7)10-9-5/h2-4,7H2,1H3
InChIKeyLIRCONDFYRUHLD-UHFFFAOYSA-N
XLogP0.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine (CID 65280810) is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine is CCc1nsc(CCN)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine?
The InChIKey is LIRCONDFYRUHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-2-5-8-6(3-4-7)10-9-5/h2-4,7H2,1H3.
What are the key properties of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine?
2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine has a molecular weight of 157.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 65280810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).