3-methyl-1,2,4-thiadiazole-5-carboxylic acid

C4H4N2O2S — CID 23145596

IUPAC3-methyl-1,2,4-thiadiazole-5-carboxylic acid
SMILESCc1nsc(C(=O)O)n1
InChIInChI=1S/C4H4N2O2S/c1-2-5-3(4(7)8)9-6-2/h1H3,(H,7,8)
InChIKeyXXFNWMYNGDPHGX-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.54
Rot. Bonds1

About 3-methyl-1,2,4-thiadiazole-5-carboxylic acid

3-methyl-1,2,4-thiadiazole-5-carboxylic acid (PubChem CID 23145596) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is 3-methyl-1,2,4-thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1,2,4-thiadiazole-5-carboxylic acid
PubChem CID23145596
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Name3-methyl-1,2,4-thiadiazole-5-carboxylic acid
SMILESCc1nsc(C(=O)O)n1
InChIInChI=1S/C4H4N2O2S/c1-2-5-3(4(7)8)9-6-2/h1H3,(H,7,8)
InChIKeyXXFNWMYNGDPHGX-UHFFFAOYSA-N
XLogP0.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,4-thiadiazole-5-carboxylic acid?
The IUPAC name of 3-methyl-1,2,4-thiadiazole-5-carboxylic acid (CID 23145596) is 3-methyl-1,2,4-thiadiazole-5-carboxylic acid.
What is the SMILES notation for 3-methyl-1,2,4-thiadiazole-5-carboxylic acid?
The canonical SMILES for 3-methyl-1,2,4-thiadiazole-5-carboxylic acid is Cc1nsc(C(=O)O)n1.
What is the InChIKey of 3-methyl-1,2,4-thiadiazole-5-carboxylic acid?
The InChIKey is XXFNWMYNGDPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c1-2-5-3(4(7)8)9-6-2/h1H3,(H,7,8).
What are the key properties of 3-methyl-1,2,4-thiadiazole-5-carboxylic acid?
3-methyl-1,2,4-thiadiazole-5-carboxylic acid has a molecular weight of 144.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,4-thiadiazole-5-carboxylic acid is sourced from PubChem (CID 23145596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).