5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid

C9H12N2O2S — CID 134530968

IUPAC5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(N2CCCCC2)s1
InChIInChI=1S/C9H12N2O2S/c12-9(13)8-10-6-7(14-8)11-4-2-1-3-5-11/h6H,1-5H2,(H,12,13)
InChIKeyGLEKSBFFOJDQIC-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.83
Rot. Bonds2

About 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid

5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid (PubChem CID 134530968) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid
PubChem CID134530968
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(N2CCCCC2)s1
InChIInChI=1S/C9H12N2O2S/c12-9(13)8-10-6-7(14-8)11-4-2-1-3-5-11/h6H,1-5H2,(H,12,13)
InChIKeyGLEKSBFFOJDQIC-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid (CID 134530968) is 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid is O=C(O)c1ncc(N2CCCCC2)s1.
What is the InChIKey of 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid?
The InChIKey is GLEKSBFFOJDQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-9(13)8-10-6-7(14-8)11-4-2-1-3-5-11/h6H,1-5H2,(H,12,13).
What are the key properties of 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid?
5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 134530968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).