2-ethyl-1,3-thiazolidine-3-carboxylic acid

C6H11NO2S — CID 21162291

IUPAC2-ethyl-1,3-thiazolidine-3-carboxylic acid
SMILESCCC1SCCN1C(=O)O
InChIInChI=1S/C6H11NO2S/c1-2-5-7(6(8)9)3-4-10-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeySTLAFUVLTFDORG-UHFFFAOYSA-N
MW161.23 g/mol
LogP1.45
Rot. Bonds1

About 2-ethyl-1,3-thiazolidine-3-carboxylic acid

2-ethyl-1,3-thiazolidine-3-carboxylic acid (PubChem CID 21162291) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1,3-thiazolidine-3-carboxylic acid
PubChem CID21162291
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name2-ethyl-1,3-thiazolidine-3-carboxylic acid
SMILESCCC1SCCN1C(=O)O
InChIInChI=1S/C6H11NO2S/c1-2-5-7(6(8)9)3-4-10-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeySTLAFUVLTFDORG-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of 2-ethyl-1,3-thiazolidine-3-carboxylic acid (CID 21162291) is 2-ethyl-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-1,3-thiazolidine-3-carboxylic acid is CCC1SCCN1C(=O)O.
What is the InChIKey of 2-ethyl-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is STLAFUVLTFDORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-5-7(6(8)9)3-4-10-5/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-ethyl-1,3-thiazolidine-3-carboxylic acid?
2-ethyl-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 161.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 21162291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).