3-benzylsulfanyl-1,2,4-thiadiazol-5-amine

C9H9N3S2 — CID 563449

IUPAC3-benzylsulfanyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(SCc2ccccc2)ns1
InChIInChI=1S/C9H9N3S2/c10-8-11-9(12-14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)
InChIKeyUOIUWIYFNWLYPM-UHFFFAOYSA-N
MW223.33 g/mol
LogP2.41
Rot. Bonds3

About 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine

3-benzylsulfanyl-1,2,4-thiadiazol-5-amine (PubChem CID 563449) has the molecular formula C9H9N3S2 and a molecular weight of 223.33 g/mol. Its IUPAC name is 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-benzylsulfanyl-1,2,4-thiadiazol-5-amine
PubChem CID563449
Molecular FormulaC9H9N3S2
Molecular Weight223.33 g/mol
Exact Mass223.02
IUPAC Name3-benzylsulfanyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(SCc2ccccc2)ns1
InChIInChI=1S/C9H9N3S2/c10-8-11-9(12-14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)
InChIKeyUOIUWIYFNWLYPM-UHFFFAOYSA-N
XLogP2.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzylsulfanyl-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-benzylsulfanyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine (CID 563449) is 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine is Nc1nc(SCc2ccccc2)ns1.
What is the InChIKey of 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UOIUWIYFNWLYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S2/c10-8-11-9(12-14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12).
What are the key properties of 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine?
3-benzylsulfanyl-1,2,4-thiadiazol-5-amine has a molecular weight of 223.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 563449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).