1,3-thiazolidine-3-carboxylic acid

C4H7NO2S — CID 18358078

IUPAC1,3-thiazolidine-3-carboxylic acid
SMILESO=C(O)N1CCSC1
InChIInChI=1S/C4H7NO2S/c6-4(7)5-1-2-8-3-5/h1-3H2,(H,6,7)
InChIKeyQMUBCEKNQQFXAP-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.67
Rot. Bonds

About 1,3-thiazolidine-3-carboxylic acid

1,3-thiazolidine-3-carboxylic acid (PubChem CID 18358078) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 1,3-thiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name1,3-thiazolidine-3-carboxylic acid
PubChem CID18358078
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name1,3-thiazolidine-3-carboxylic acid
SMILESO=C(O)N1CCSC1
InChIInChI=1S/C4H7NO2S/c6-4(7)5-1-2-8-3-5/h1-3H2,(H,6,7)
InChIKeyQMUBCEKNQQFXAP-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidine-3-carboxylic acid?
The IUPAC name of 1,3-thiazolidine-3-carboxylic acid (CID 18358078) is 1,3-thiazolidine-3-carboxylic acid.
What is the SMILES notation for 1,3-thiazolidine-3-carboxylic acid?
The canonical SMILES for 1,3-thiazolidine-3-carboxylic acid is O=C(O)N1CCSC1.
What is the InChIKey of 1,3-thiazolidine-3-carboxylic acid?
The InChIKey is QMUBCEKNQQFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c6-4(7)5-1-2-8-3-5/h1-3H2,(H,6,7).
What are the key properties of 1,3-thiazolidine-3-carboxylic acid?
1,3-thiazolidine-3-carboxylic acid has a molecular weight of 133.17 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidine-3-carboxylic acid is sourced from PubChem (CID 18358078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).