thiadiazole-5-carboxylic acid;hydrochloride

C3H3ClN2O2S — CID 70551277

IUPACthiadiazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnns1
InChIInChI=1S/C3H2N2O2S.ClH/c6-3(7)2-1-4-5-8-2;/h1H,(H,6,7);1H
InChIKeyLJFOSEGTRHQFRE-UHFFFAOYSA-N
MW166.59 g/mol
LogP0.66
Rot. Bonds1

About thiadiazole-5-carboxylic acid;hydrochloride

thiadiazole-5-carboxylic acid;hydrochloride (PubChem CID 70551277) has the molecular formula C3H3ClN2O2S and a molecular weight of 166.59 g/mol. Its IUPAC name is thiadiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namethiadiazole-5-carboxylic acid;hydrochloride
PubChem CID70551277
Molecular FormulaC3H3ClN2O2S
Molecular Weight166.59 g/mol
Exact Mass165.96
IUPAC Namethiadiazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnns1
InChIInChI=1S/C3H2N2O2S.ClH/c6-3(7)2-1-4-5-8-2;/h1H,(H,6,7);1H
InChIKeyLJFOSEGTRHQFRE-UHFFFAOYSA-N
XLogP0.66
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.59
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiadiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of thiadiazole-5-carboxylic acid;hydrochloride (CID 70551277) is thiadiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for thiadiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for thiadiazole-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnns1.
What is the InChIKey of thiadiazole-5-carboxylic acid;hydrochloride?
The InChIKey is LJFOSEGTRHQFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O2S.ClH/c6-3(7)2-1-4-5-8-2;/h1H,(H,6,7);1H.
What are the key properties of thiadiazole-5-carboxylic acid;hydrochloride?
thiadiazole-5-carboxylic acid;hydrochloride has a molecular weight of 166.59 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 70551277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).