2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid

C8H11N3O2S — CID 112716985

IUPAC2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2ncns2)C1
InChIInChI=1S/C8H11N3O2S/c12-8(13)5-1-2-9-6(3-5)7-10-4-11-14-7/h4-6,9H,1-3H2,(H,12,13)
InChIKeyPEOFDVXSBYQKAI-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.66
Rot. Bonds2

About 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid

2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 112716985) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
PubChem CID112716985
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2ncns2)C1
InChIInChI=1S/C8H11N3O2S/c12-8(13)5-1-2-9-6(3-5)7-10-4-11-14-7/h4-6,9H,1-3H2,(H,12,13)
InChIKeyPEOFDVXSBYQKAI-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid (CID 112716985) is 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid is O=C(O)C1CCNC(c2ncns2)C1.
What is the InChIKey of 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is PEOFDVXSBYQKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-8(13)5-1-2-9-6(3-5)7-10-4-11-14-7/h4-6,9H,1-3H2,(H,12,13).
What are the key properties of 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 112716985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).