2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride

C8H18ClNO3S — CID 2817818

IUPAC2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride
SMILESCC1(C)NC(C(=O)O)C(C)(C)S1.Cl.O
InChIInChI=1S/C8H15NO2S.ClH.H2O/c1-7(2)5(6(10)11)9-8(3,4)12-7;;/h5,9H,1-4H3,(H,10,11);1H;1H2
InChIKeyOLXKFNGRVOPQGU-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.89
Rot. Bonds1

About 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride

2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride (PubChem CID 2817818) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride
PubChem CID2817818
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride
SMILESCC1(C)NC(C(=O)O)C(C)(C)S1.Cl.O
InChIInChI=1S/C8H15NO2S.ClH.H2O/c1-7(2)5(6(10)11)9-8(3,4)12-7;;/h5,9H,1-4H3,(H,10,11);1H;1H2
InChIKeyOLXKFNGRVOPQGU-UHFFFAOYSA-N
XLogP0.89
TPSA80.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride?
The IUPAC name of 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride (CID 2817818) is 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride.
What is the SMILES notation for 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride?
The canonical SMILES for 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride is CC1(C)NC(C(=O)O)C(C)(C)S1.Cl.O.
What is the InChIKey of 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride?
The InChIKey is OLXKFNGRVOPQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S.ClH.H2O/c1-7(2)5(6(10)11)9-8(3,4)12-7;;/h5,9H,1-4H3,(H,10,11);1H;1H2.
What are the key properties of 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride?
2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride has a molecular weight of 243.76 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrate;hydrochloride is sourced from PubChem (CID 2817818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).