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

C4H7N3S2 — CID 70538044

IUPAC2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
SMILESNCCSc1ncns1
InChIInChI=1S/C4H7N3S2/c5-1-2-8-4-6-3-7-9-4/h3H,1-2,5H2
InChIKeyKNKFMBMBLMLLLD-UHFFFAOYSA-N
MW161.26 g/mol
LogP0.59
Rot. Bonds3

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

2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine (PubChem CID 70538044) has the molecular formula C4H7N3S2 and a molecular weight of 161.26 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
PubChem CID70538044
Molecular FormulaC4H7N3S2
Molecular Weight161.26 g/mol
Exact Mass161.01
IUPAC Name2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
SMILESNCCSc1ncns1
InChIInChI=1S/C4H7N3S2/c5-1-2-8-4-6-3-7-9-4/h3H,1-2,5H2
InChIKeyKNKFMBMBLMLLLD-UHFFFAOYSA-N
XLogP0.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine?
The IUPAC name of 2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine (CID 70538044) is 2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine is NCCSc1ncns1.
What is the InChIKey of 2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine?
The InChIKey is KNKFMBMBLMLLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S2/c5-1-2-8-4-6-3-7-9-4/h3H,1-2,5H2.
What are the key properties of 2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine?
2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine has a molecular weight of 161.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine is sourced from PubChem (CID 70538044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).