3-but-2-enyl-1,2,4-thiadiazol-5-amine

C6H9N3S — CID 134467323

IUPAC3-but-2-enyl-1,2,4-thiadiazol-5-amine
SMILESCC=CCc1nsc(N)n1
InChIInChI=1S/C6H9N3S/c1-2-3-4-5-8-6(7)10-9-5/h2-3H,4H2,1H3,(H2,7,8,9)
InChIKeyWKKWQFHNICSMHO-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.24
Rot. Bonds2

About 3-but-2-enyl-1,2,4-thiadiazol-5-amine

3-but-2-enyl-1,2,4-thiadiazol-5-amine (PubChem CID 134467323) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 3-but-2-enyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-but-2-enyl-1,2,4-thiadiazol-5-amine
PubChem CID134467323
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name3-but-2-enyl-1,2,4-thiadiazol-5-amine
SMILESCC=CCc1nsc(N)n1
InChIInChI=1S/C6H9N3S/c1-2-3-4-5-8-6(7)10-9-5/h2-3H,4H2,1H3,(H2,7,8,9)
InChIKeyWKKWQFHNICSMHO-UHFFFAOYSA-N
XLogP1.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-but-2-enyl-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-but-2-enyl-1,2,4-thiadiazol-5-amine (CID 134467323) is 3-but-2-enyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-but-2-enyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-but-2-enyl-1,2,4-thiadiazol-5-amine is CC=CCc1nsc(N)n1.
What is the InChIKey of 3-but-2-enyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WKKWQFHNICSMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-3-4-5-8-6(7)10-9-5/h2-3H,4H2,1H3,(H2,7,8,9).
What are the key properties of 3-but-2-enyl-1,2,4-thiadiazol-5-amine?
3-but-2-enyl-1,2,4-thiadiazol-5-amine has a molecular weight of 155.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 134467323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).