5-piperidin-1-ylthiadiazole-4-carboxylic acid

C8H11N3O2S — CID 82394211

IUPAC5-piperidin-1-ylthiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1N1CCCCC1
InChIInChI=1S/C8H11N3O2S/c12-8(13)6-7(14-10-9-6)11-4-2-1-3-5-11/h1-5H2,(H,12,13)
InChIKeyOYSWBSRMJOXRCV-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.23
Rot. Bonds2

About 5-piperidin-1-ylthiadiazole-4-carboxylic acid

5-piperidin-1-ylthiadiazole-4-carboxylic acid (PubChem CID 82394211) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-piperidin-1-ylthiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-piperidin-1-ylthiadiazole-4-carboxylic acid
PubChem CID82394211
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name5-piperidin-1-ylthiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1N1CCCCC1
InChIInChI=1S/C8H11N3O2S/c12-8(13)6-7(14-10-9-6)11-4-2-1-3-5-11/h1-5H2,(H,12,13)
InChIKeyOYSWBSRMJOXRCV-UHFFFAOYSA-N
XLogP1.23
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylthiadiazole-4-carboxylic acid?
The IUPAC name of 5-piperidin-1-ylthiadiazole-4-carboxylic acid (CID 82394211) is 5-piperidin-1-ylthiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-piperidin-1-ylthiadiazole-4-carboxylic acid?
The canonical SMILES for 5-piperidin-1-ylthiadiazole-4-carboxylic acid is O=C(O)c1nnsc1N1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylthiadiazole-4-carboxylic acid?
The InChIKey is OYSWBSRMJOXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-8(13)6-7(14-10-9-6)11-4-2-1-3-5-11/h1-5H2,(H,12,13).
What are the key properties of 5-piperidin-1-ylthiadiazole-4-carboxylic acid?
5-piperidin-1-ylthiadiazole-4-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylthiadiazole-4-carboxylic acid is sourced from PubChem (CID 82394211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).