4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid

C7H13NO2S — CID 57006328

IUPAC4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid
SMILESCCC1(C)CSCN1C(=O)O
InChIInChI=1S/C7H13NO2S/c1-3-7(2)4-11-5-8(7)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyFHJOTVUGFVJKSM-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.84
Rot. Bonds1

About 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid

4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid (PubChem CID 57006328) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid
PubChem CID57006328
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid
SMILESCCC1(C)CSCN1C(=O)O
InChIInChI=1S/C7H13NO2S/c1-3-7(2)4-11-5-8(7)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyFHJOTVUGFVJKSM-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

2-Ethyl-1,3-thiazolidine-3-carboxylic acid
CID 21162291
5,5-Dimethyl-1,3-thiazolidine-3-carboxylic acid
CID 23320581
4,4-Dimethyl-1,3-thiazolidine-3-carboxylic acid
CID 57007173
4-Methyl-1,3-thiazolidine-3-carboxylic acid
CID 57260668

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid (CID 57006328) is 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid is CCC1(C)CSCN1C(=O)O.
What is the InChIKey of 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid?
The InChIKey is FHJOTVUGFVJKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-7(2)4-11-5-8(7)6(9)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid?
4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid has a molecular weight of 175.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 57006328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).