4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid

C6H11NO2S — CID 57007173

IUPAC4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC1(C)CSCN1C(=O)O
InChIInChI=1S/C6H11NO2S/c1-6(2)3-10-4-7(6)5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyUCJVWIGTHDHSJV-UHFFFAOYSA-N
MW161.23 g/mol
LogP1.45
Rot. Bonds

About 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid

4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid (PubChem CID 57007173) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid
PubChem CID57007173
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid
SMILESCC1(C)CSCN1C(=O)O
InChIInChI=1S/C6H11NO2S/c1-6(2)3-10-4-7(6)5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyUCJVWIGTHDHSJV-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

2,2-Dimethyl-1,3-thiazolidine-3-carboxylic acid
CID 17855237
5,5-Dimethyl-1,3-thiazolidine-3-carboxylic acid
CID 23320581
4-Ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid
CID 57006328
4-Methyl-1,3-thiazolidine-3-carboxylic acid
CID 57260668
2,2,4-Trimethyl-1,3-thiazolidine-3-carboxylic acid
CID 68816778
4-Hydroxy-3,4-dimethyl-1,3-thiazolidin-2-one
CID 12743041
3-Methyl-1,3-thiazolidin-3-ium-3-carboxylic acid
CID 70502928

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid (CID 57007173) is 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid is CC1(C)CSCN1C(=O)O.
What is the InChIKey of 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is UCJVWIGTHDHSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-6(2)3-10-4-7(6)5(8)9/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid?
4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 161.23 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 57007173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).