4-methylthiadiazole-5-carboxylic acid

C4H4N2O2S — CID 1381992

IUPAC4-methylthiadiazole-5-carboxylic acid
SMILESCc1nnsc1C(=O)O
InChIInChI=1S/C4H4N2O2S/c1-2-3(4(7)8)9-6-5-2/h1H3,(H,7,8)
InChIKeyNHHQOYLPBUYHQU-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.54
Rot. Bonds1

About 4-methylthiadiazole-5-carboxylic acid

4-methylthiadiazole-5-carboxylic acid (PubChem CID 1381992) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is 4-methylthiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methylthiadiazole-5-carboxylic acid
PubChem CID1381992
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Name4-methylthiadiazole-5-carboxylic acid
SMILESCc1nnsc1C(=O)O
InChIInChI=1S/C4H4N2O2S/c1-2-3(4(7)8)9-6-5-2/h1H3,(H,7,8)
InChIKeyNHHQOYLPBUYHQU-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 4-methylthiadiazole-5-carboxylic acid?
The IUPAC name of 4-methylthiadiazole-5-carboxylic acid (CID 1381992) is 4-methylthiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-methylthiadiazole-5-carboxylic acid?
The canonical SMILES for 4-methylthiadiazole-5-carboxylic acid is Cc1nnsc1C(=O)O.
What is the InChIKey of 4-methylthiadiazole-5-carboxylic acid?
The InChIKey is NHHQOYLPBUYHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c1-2-3(4(7)8)9-6-5-2/h1H3,(H,7,8).
What are the key properties of 4-methylthiadiazole-5-carboxylic acid?
4-methylthiadiazole-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 4-methylthiadiazole-5-carboxylic acid is sourced from PubChem (CID 1381992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).