1-(thiadiazol-5-yl)ethanamine

C4H7N3S — CID 82593777

IUPAC1-(thiadiazol-5-yl)ethanamine
SMILESCC(N)c1cnns1
InChIInChI=1S/C4H7N3S/c1-3(5)4-2-6-7-8-4/h2-3H,5H2,1H3
InChIKeyNLUPDJYFOMHEQG-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.56
Rot. Bonds1

About 1-(thiadiazol-5-yl)ethanamine

1-(thiadiazol-5-yl)ethanamine (PubChem CID 82593777) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)ethanamine
PubChem CID82593777
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name1-(thiadiazol-5-yl)ethanamine
SMILESCC(N)c1cnns1
InChIInChI=1S/C4H7N3S/c1-3(5)4-2-6-7-8-4/h2-3H,5H2,1H3
InChIKeyNLUPDJYFOMHEQG-UHFFFAOYSA-N
XLogP0.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of 1-(thiadiazol-5-yl)ethanamine (CID 82593777) is 1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for 1-(thiadiazol-5-yl)ethanamine is CC(N)c1cnns1.
What is the InChIKey of 1-(thiadiazol-5-yl)ethanamine?
The InChIKey is NLUPDJYFOMHEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-3(5)4-2-6-7-8-4/h2-3H,5H2,1H3.
What are the key properties of 1-(thiadiazol-5-yl)ethanamine?
1-(thiadiazol-5-yl)ethanamine has a molecular weight of 129.19 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 82593777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).