1,3-thiazolidine-4-carboxylic acid

C4H7NO2S — CID 9934

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IUPAC1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1
InChIInChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKeyDZLNHFMRPBPULJ-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.27
Rot. Bonds1

About 1,3-thiazolidine-4-carboxylic acid

1,3-thiazolidine-4-carboxylic acid (PubChem CID 9934) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1,3-thiazolidine-4-carboxylic acid
PubChem CID9934
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1
InChIInChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKeyDZLNHFMRPBPULJ-UHFFFAOYSA-N
XLogP-0.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-thiazolidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 172787478
(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4R)-1,3-thiazolidine-4-carboxylic acid
CID 159429720
1-[(4R)-1,3-thiazolidin-4-yl]ethenol
CID 118586381
1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310155
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61158601
(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109
(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61161928
N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 43579611
2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 61161099
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-methoxy-N-methyl-1,3-thiazolidine-4-carboxamide
CID 22922472

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 1,3-thiazolidine-4-carboxylic acid (CID 9934) is 1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1.
What is the InChIKey of 1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DZLNHFMRPBPULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7).
What are the key properties of 1,3-thiazolidine-4-carboxylic acid?
1,3-thiazolidine-4-carboxylic acid has a molecular weight of 133.17 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 9934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).