2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

C11H16N2O2S — CID 62752952

IUPAC2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCC1CCCN(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C11H16N2O2S/c1-2-8-4-3-5-13(7-8)11-12-6-9(16-11)10(14)15/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyRPPPTPTZKVCFHM-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62752952) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID62752952
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCC1CCCN(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C11H16N2O2S/c1-2-8-4-3-5-13(7-8)11-12-6-9(16-11)10(14)15/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyRPPPTPTZKVCFHM-UHFFFAOYSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 62752952) is 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is CCC1CCCN(c2ncc(C(=O)O)s2)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is RPPPTPTZKVCFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-8-4-3-5-13(7-8)11-12-6-9(16-11)10(14)15/h6,8H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62752952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).