5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid

C8H11N3O2S — CID 83886040

IUPAC5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C2CCNCC2)s1
InChIInChI=1S/C8H11N3O2S/c12-8(13)7-11-10-6(14-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H,12,13)
InChIKeyZROBFNWRATXNNJ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.70
Rot. Bonds2

About 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid

5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid (PubChem CID 83886040) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid
PubChem CID83886040
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C2CCNCC2)s1
InChIInChI=1S/C8H11N3O2S/c12-8(13)7-11-10-6(14-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H,12,13)
InChIKeyZROBFNWRATXNNJ-UHFFFAOYSA-N
XLogP0.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid?
The IUPAC name of 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid (CID 83886040) is 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid.
What is the SMILES notation for 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid?
The canonical SMILES for 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid is O=C(O)c1nnc(C2CCNCC2)s1.
What is the InChIKey of 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid?
The InChIKey is ZROBFNWRATXNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-8(13)7-11-10-6(14-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H,12,13).
What are the key properties of 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid?
5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid is sourced from PubChem (CID 83886040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).