1,2,5-thiadiazole-3-carboxylic acid

C3H2N2O2S — CID 1398314

IUPAC1,2,5-thiadiazole-3-carboxylic acid
SMILESO=C(O)c1cnsn1
InChIInChI=1S/C3H2N2O2S/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
InChIKeyGFTBMBHVZZFGCK-UHFFFAOYSA-N
MW130.13 g/mol
LogP0.24
Rot. Bonds1

About 1,2,5-thiadiazole-3-carboxylic acid

1,2,5-thiadiazole-3-carboxylic acid (PubChem CID 1398314) has the molecular formula C3H2N2O2S and a molecular weight of 130.13 g/mol. Its IUPAC name is 1,2,5-thiadiazole-3-carboxylic acid.

Molecular Properties

Compound Name1,2,5-thiadiazole-3-carboxylic acid
PubChem CID1398314
Molecular FormulaC3H2N2O2S
Molecular Weight130.13 g/mol
Exact Mass129.98
IUPAC Name1,2,5-thiadiazole-3-carboxylic acid
SMILESO=C(O)c1cnsn1
InChIInChI=1S/C3H2N2O2S/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
InChIKeyGFTBMBHVZZFGCK-UHFFFAOYSA-N
XLogP0.24
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-thiadiazole-3-carboxylic acid?
The IUPAC name of 1,2,5-thiadiazole-3-carboxylic acid (CID 1398314) is 1,2,5-thiadiazole-3-carboxylic acid.
What is the SMILES notation for 1,2,5-thiadiazole-3-carboxylic acid?
The canonical SMILES for 1,2,5-thiadiazole-3-carboxylic acid is O=C(O)c1cnsn1.
What is the InChIKey of 1,2,5-thiadiazole-3-carboxylic acid?
The InChIKey is GFTBMBHVZZFGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O2S/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7).
What are the key properties of 1,2,5-thiadiazole-3-carboxylic acid?
1,2,5-thiadiazole-3-carboxylic acid has a molecular weight of 130.13 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-thiadiazole-3-carboxylic acid is sourced from PubChem (CID 1398314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).