2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid

C7H13NO2S — CID 68816778

IUPAC2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC1CSC(C)(C)N1C(=O)O
InChIInChI=1S/C7H13NO2S/c1-5-4-11-7(2,3)8(5)6(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKeyWHCDRHOWPSPMSH-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.84
Rot. Bonds

About 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid

2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid (PubChem CID 68816778) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid
PubChem CID68816778
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC1CSC(C)(C)N1C(=O)O
InChIInChI=1S/C7H13NO2S/c1-5-4-11-7(2,3)8(5)6(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKeyWHCDRHOWPSPMSH-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid (CID 68816778) is 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid is CC1CSC(C)(C)N1C(=O)O.
What is the InChIKey of 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is WHCDRHOWPSPMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5-4-11-7(2,3)8(5)6(9)10/h5H,4H2,1-3H3,(H,9,10).
What are the key properties of 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid?
2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 175.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 68816778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).