2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C8H15NO2S — CID 21162295

IUPAC2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C8H15NO2S/c1-4-5-9-6(7(10)11)8(2,3)12-5/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyLASVVOUGFBNMDI-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.29
Rot. Bonds2

About 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 21162295) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID21162295
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C8H15NO2S/c1-4-5-9-6(7(10)11)8(2,3)12-5/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyLASVVOUGFBNMDI-UHFFFAOYSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 21162295) is 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CCC1NC(C(=O)O)C(C)(C)S1.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LASVVOUGFBNMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-5-9-6(7(10)11)8(2,3)12-5/h5-6,9H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 189.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 21162295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).