2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid

C11H16N2O2S — CID 83224673

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCC1CCC(C)N1c1nc(C(=O)O)cs1
InChIInChI=1S/C11H16N2O2S/c1-3-8-5-4-7(2)13(8)11-12-9(6-16-11)10(14)15/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyNGZYUYBYPPSVII-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 83224673) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID83224673
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCC1CCC(C)N1c1nc(C(=O)O)cs1
InChIInChI=1S/C11H16N2O2S/c1-3-8-5-4-7(2)13(8)11-12-9(6-16-11)10(14)15/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyNGZYUYBYPPSVII-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid (CID 83224673) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid is CCC1CCC(C)N1c1nc(C(=O)O)cs1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is NGZYUYBYPPSVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-8-5-4-7(2)13(8)11-12-9(6-16-11)10(14)15/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83224673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).