1,2,5-thiadiazole

C2H2N2S — CID 559537

IUPAC1,2,5-thiadiazole
SMILESc1cnsn1
InChIInChI=1S/C2H2N2S/c1-2-4-5-3-1/h1-2H
InChIKeyUDGKZGLPXCRRAM-UHFFFAOYSA-N
MW86.12 g/mol
LogP0.54
Rot. Bonds

About 1,2,5-thiadiazole

1,2,5-thiadiazole (PubChem CID 559537) has the molecular formula C2H2N2S and a molecular weight of 86.12 g/mol. Its IUPAC name is 1,2,5-thiadiazole.

Molecular Properties

Compound Name1,2,5-thiadiazole
PubChem CID559537
Molecular FormulaC2H2N2S
Molecular Weight86.12 g/mol
Exact Mass85.99
IUPAC Name1,2,5-thiadiazole
SMILESc1cnsn1
InChIInChI=1S/C2H2N2S/c1-2-4-5-3-1/h1-2H
InChIKeyUDGKZGLPXCRRAM-UHFFFAOYSA-N
XLogP0.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.12
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-thiadiazole?
The IUPAC name of 1,2,5-thiadiazole (CID 559537) is 1,2,5-thiadiazole.
What is the SMILES notation for 1,2,5-thiadiazole?
The canonical SMILES for 1,2,5-thiadiazole is c1cnsn1.
What is the InChIKey of 1,2,5-thiadiazole?
The InChIKey is UDGKZGLPXCRRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S/c1-2-4-5-3-1/h1-2H.
What are the key properties of 1,2,5-thiadiazole?
1,2,5-thiadiazole has a molecular weight of 86.12 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-thiadiazole is sourced from PubChem (CID 559537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).