3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione

C4H8N4OS — CID 90063944

IUPAC3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione
SMILESCCN(N)c1nc(=S)o[nH]1
InChIInChI=1S/C4H8N4OS/c1-2-8(5)3-6-4(10)9-7-3/h2,5H2,1H3,(H,6,7,10)
InChIKeyUYTXAMFOIYVANA-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.43
Rot. Bonds2

About 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione

3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione (PubChem CID 90063944) has the molecular formula C4H8N4OS and a molecular weight of 160.20 g/mol. Its IUPAC name is 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione.

Molecular Properties

Compound Name3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione
PubChem CID90063944
Molecular FormulaC4H8N4OS
Molecular Weight160.20 g/mol
Exact Mass160.04
IUPAC Name3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione
SMILESCCN(N)c1nc(=S)o[nH]1
InChIInChI=1S/C4H8N4OS/c1-2-8(5)3-6-4(10)9-7-3/h2,5H2,1H3,(H,6,7,10)
InChIKeyUYTXAMFOIYVANA-UHFFFAOYSA-N
XLogP0.43
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione?
The IUPAC name of 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione (CID 90063944) is 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione.
What is the SMILES notation for 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione?
The canonical SMILES for 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione is CCN(N)c1nc(=S)o[nH]1.
What is the InChIKey of 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione?
The InChIKey is UYTXAMFOIYVANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4OS/c1-2-8(5)3-6-4(10)9-7-3/h2,5H2,1H3,(H,6,7,10).
What are the key properties of 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione?
3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione has a molecular weight of 160.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione is sourced from PubChem (CID 90063944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).