5-methyl-2H-thiadiazole-5-carboxylic acid

C4H6N2O2S — CID 141236455

IUPAC5-methyl-2H-thiadiazole-5-carboxylic acid
SMILESCC1(C(=O)O)C=NNS1
InChIInChI=1S/C4H6N2O2S/c1-4(3(7)8)2-5-6-9-4/h2,6H,1H3,(H,7,8)
InChIKeyOSBGOWSKTWJZJH-UHFFFAOYSA-N
MW146.17 g/mol
LogP0.07
Rot. Bonds1

About 5-methyl-2H-thiadiazole-5-carboxylic acid

5-methyl-2H-thiadiazole-5-carboxylic acid (PubChem CID 141236455) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 5-methyl-2H-thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2H-thiadiazole-5-carboxylic acid
PubChem CID141236455
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name5-methyl-2H-thiadiazole-5-carboxylic acid
SMILESCC1(C(=O)O)C=NNS1
InChIInChI=1S/C4H6N2O2S/c1-4(3(7)8)2-5-6-9-4/h2,6H,1H3,(H,7,8)
InChIKeyOSBGOWSKTWJZJH-UHFFFAOYSA-N
XLogP0.07
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-thiadiazole-5-carboxylic acid?
The IUPAC name of 5-methyl-2H-thiadiazole-5-carboxylic acid (CID 141236455) is 5-methyl-2H-thiadiazole-5-carboxylic acid.
What is the SMILES notation for 5-methyl-2H-thiadiazole-5-carboxylic acid?
The canonical SMILES for 5-methyl-2H-thiadiazole-5-carboxylic acid is CC1(C(=O)O)C=NNS1.
What is the InChIKey of 5-methyl-2H-thiadiazole-5-carboxylic acid?
The InChIKey is OSBGOWSKTWJZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c1-4(3(7)8)2-5-6-9-4/h2,6H,1H3,(H,7,8).
What are the key properties of 5-methyl-2H-thiadiazole-5-carboxylic acid?
5-methyl-2H-thiadiazole-5-carboxylic acid has a molecular weight of 146.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-thiadiazole-5-carboxylic acid is sourced from PubChem (CID 141236455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).