3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine

C10H9N3S — CID 64981736

IUPAC3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2Cc3ccccc32)ns1
InChIInChI=1S/C10H9N3S/c11-10-12-9(13-14-10)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2,(H2,11,12,13)
InChIKeyWFHRKGHOZUBIGE-UHFFFAOYSA-N
MW203.27 g/mol
LogP1.81
Rot. Bonds1

About 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine (PubChem CID 64981736) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine
PubChem CID64981736
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2Cc3ccccc32)ns1
InChIInChI=1S/C10H9N3S/c11-10-12-9(13-14-10)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2,(H2,11,12,13)
InChIKeyWFHRKGHOZUBIGE-UHFFFAOYSA-N
XLogP1.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine (CID 64981736) is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine is Nc1nc(C2Cc3ccccc32)ns1.
What is the InChIKey of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WFHRKGHOZUBIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c11-10-12-9(13-14-10)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2,(H2,11,12,13).
What are the key properties of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine?
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 203.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 64981736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).