3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine

C6H12N4S — CID 28908323

IUPAC3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)c1nsc(N)n1
InChIInChI=1S/C6H12N4S/c1-3-10(4-2)6-8-5(7)11-9-6/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyUUVNYORTJHWAAD-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.97
Rot. Bonds3

About 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine

3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 28908323) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID28908323
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)c1nsc(N)n1
InChIInChI=1S/C6H12N4S/c1-3-10(4-2)6-8-5(7)11-9-6/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyUUVNYORTJHWAAD-UHFFFAOYSA-N
XLogP0.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine 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-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine (CID 28908323) is 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine is CCN(CC)c1nsc(N)n1.
What is the InChIKey of 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is UUVNYORTJHWAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-3-10(4-2)6-8-5(7)11-9-6/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine?
3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 172.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 28908323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).