1,2,4-thiadiazole-3,5-dicarbonitrile

C4N4S — CID 13172353

IUPAC1,2,4-thiadiazole-3,5-dicarbonitrile
SMILESN#Cc1nsc(C#N)n1
InChIInChI=1S/C4N4S/c5-1-3-7-4(2-6)9-8-3
InChIKeyFIQXYWYQNLVPTM-UHFFFAOYSA-N
MW136.14 g/mol
LogP0.28
Rot. Bonds

About 1,2,4-thiadiazole-3,5-dicarbonitrile

1,2,4-thiadiazole-3,5-dicarbonitrile (PubChem CID 13172353) has the molecular formula C4N4S and a molecular weight of 136.14 g/mol. Its IUPAC name is 1,2,4-thiadiazole-3,5-dicarbonitrile.

Molecular Properties

Compound Name1,2,4-thiadiazole-3,5-dicarbonitrile
PubChem CID13172353
Molecular FormulaC4N4S
Molecular Weight136.14 g/mol
Exact Mass135.98
IUPAC Name1,2,4-thiadiazole-3,5-dicarbonitrile
SMILESN#Cc1nsc(C#N)n1
InChIInChI=1S/C4N4S/c5-1-3-7-4(2-6)9-8-3
InChIKeyFIQXYWYQNLVPTM-UHFFFAOYSA-N
XLogP0.28
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,4-thiadiazole-3,5-dicarbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-Amino-1,2,4-thiadiazole-3-carbonitrile
CID 20318346
3-Methyl-1,2,4-thiadiazole-5-carbonitrile
CID 22099279
5-Methyl-1,2,4-thiadiazole-3-carbonitrile
CID 82650994
Ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile
CID 142404188
Ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile
CID 156893269
5-Methyl-1,2,4-thiadiazole-3-carbonitrile;propane
CID 156893796

Frequently Asked Questions

What is the IUPAC name of 1,2,4-thiadiazole-3,5-dicarbonitrile?
The IUPAC name of 1,2,4-thiadiazole-3,5-dicarbonitrile (CID 13172353) is 1,2,4-thiadiazole-3,5-dicarbonitrile.
What is the SMILES notation for 1,2,4-thiadiazole-3,5-dicarbonitrile?
The canonical SMILES for 1,2,4-thiadiazole-3,5-dicarbonitrile is N#Cc1nsc(C#N)n1.
What is the InChIKey of 1,2,4-thiadiazole-3,5-dicarbonitrile?
The InChIKey is FIQXYWYQNLVPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4N4S/c5-1-3-7-4(2-6)9-8-3.
What are the key properties of 1,2,4-thiadiazole-3,5-dicarbonitrile?
1,2,4-thiadiazole-3,5-dicarbonitrile has a molecular weight of 136.14 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-thiadiazole-3,5-dicarbonitrile is sourced from PubChem (CID 13172353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).