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

C4H7N3S — CID 65279902

IUPAC2-(1,2,4-thiadiazol-5-yl)ethanamine
SMILESNCCc1ncns1
InChIInChI=1S/C4H7N3S/c5-2-1-4-6-3-7-8-4/h3H,1-2,5H2
InChIKeyJANGKQMRFOMALG-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.04
Rot. Bonds2

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

2-(1,2,4-thiadiazol-5-yl)ethanamine (PubChem CID 65279902) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-5-yl)ethanamine
PubChem CID65279902
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name2-(1,2,4-thiadiazol-5-yl)ethanamine
SMILESNCCc1ncns1
InChIInChI=1S/C4H7N3S/c5-2-1-4-6-3-7-8-4/h3H,1-2,5H2
InChIKeyJANGKQMRFOMALG-UHFFFAOYSA-N
XLogP0.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(1,2,4-thiadiazol-5-yl)ethanamine (CID 65279902) is 2-(1,2,4-thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1,2,4-thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(1,2,4-thiadiazol-5-yl)ethanamine is NCCc1ncns1.
What is the InChIKey of 2-(1,2,4-thiadiazol-5-yl)ethanamine?
The InChIKey is JANGKQMRFOMALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c5-2-1-4-6-3-7-8-4/h3H,1-2,5H2.
What are the key properties of 2-(1,2,4-thiadiazol-5-yl)ethanamine?
2-(1,2,4-thiadiazol-5-yl)ethanamine has a molecular weight of 129.19 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 65279902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).