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

C9H12N2O2S — CID 16783065

IUPAC1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2nccs2)C1
InChIInChI=1S/C9H12N2O2S/c12-8(13)7-2-1-4-11(6-7)9-10-3-5-14-9/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyHBUSXPMRNOKFBL-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.44
Rot. Bonds2

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

1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid (PubChem CID 16783065) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
PubChem CID16783065
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2nccs2)C1
InChIInChI=1S/C9H12N2O2S/c12-8(13)7-2-1-4-11(6-7)9-10-3-5-14-9/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyHBUSXPMRNOKFBL-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid (CID 16783065) is 1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2nccs2)C1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is HBUSXPMRNOKFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-8(13)7-2-1-4-11(6-7)9-10-3-5-14-9/h3,5,7H,1-2,4,6H2,(H,12,13).
What are the key properties of 1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 16783065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).