6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid

C9H12N2O2S — CID 164650985

IUPAC6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(c2cncs2)N1
InChIInChI=1S/C9H12N2O2S/c12-9(13)7-3-1-2-6(11-7)8-4-10-5-14-8/h4-7,11H,1-3H2,(H,12,13)
InChIKeyPHQMVMHPOKCADP-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.41
Rot. Bonds2

About 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid

6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid (PubChem CID 164650985) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid
PubChem CID164650985
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(c2cncs2)N1
InChIInChI=1S/C9H12N2O2S/c12-9(13)7-3-1-2-6(11-7)8-4-10-5-14-8/h4-7,11H,1-3H2,(H,12,13)
InChIKeyPHQMVMHPOKCADP-UHFFFAOYSA-N
XLogP1.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid (CID 164650985) is 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCC(c2cncs2)N1.
What is the InChIKey of 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid?
The InChIKey is PHQMVMHPOKCADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-9(13)7-3-1-2-6(11-7)8-4-10-5-14-8/h4-7,11H,1-3H2,(H,12,13).
What are the key properties of 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid?
6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 164650985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).