1,3-thiazolidine-5-carboxylic acid

C4H7NO2S — CID 14344103

IUPAC1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)C1CNCS1
InChIInChI=1S/C4H7NO2S/c6-4(7)3-1-5-2-8-3/h3,5H,1-2H2,(H,6,7)
InChIKeyQCJLSCRVJRTFKT-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.27
Rot. Bonds1

About 1,3-thiazolidine-5-carboxylic acid

1,3-thiazolidine-5-carboxylic acid (PubChem CID 14344103) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-thiazolidine-5-carboxylic acid
PubChem CID14344103
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)C1CNCS1
InChIInChI=1S/C4H7NO2S/c6-4(7)3-1-5-2-8-3/h3,5H,1-2H2,(H,6,7)
InChIKeyQCJLSCRVJRTFKT-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-thiazolidin-5-ylmethanol
CID 54350904
piperazine-2-carboxylic acid
CID 2723758
(2R,4R)-4-aminothiolane-2-carboxylic acid
CID 96636367
piperazine-2-carboxylic acid;hydrochloride
CID 52987850
(2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride
CID 122513295
bis(azetidine-3-carboxylic acid);sulfuric acid
CID 175702403
(5R)-2-phenyl-1,3-thiazolidine-5-carboxylic acid
CID 101033046
(2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid
CID 774047
thiadiazolidine-4-carboxylic acid
CID 154268814
1,3-thiazolidine-4-carboxylic acid
CID 9934
4-acetylpyrrolidine-3-carboxylic acid
CID 5141364
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of 1,3-thiazolidine-5-carboxylic acid (CID 14344103) is 1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for 1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for 1,3-thiazolidine-5-carboxylic acid is O=C(O)C1CNCS1.
What is the InChIKey of 1,3-thiazolidine-5-carboxylic acid?
The InChIKey is QCJLSCRVJRTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c6-4(7)3-1-5-2-8-3/h3,5H,1-2H2,(H,6,7).
What are the key properties of 1,3-thiazolidine-5-carboxylic acid?
1,3-thiazolidine-5-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-5-carboxylic acid is sourced from PubChem (CID 14344103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).