1,3-thiazolidin-3-ium-4-carboxylate

C4H7NO2S — CID 5081328

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IUPAC1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC[NH2+]1
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-2.63
Rot. Bonds1

About 1,3-thiazolidin-3-ium-4-carboxylate

1,3-thiazolidin-3-ium-4-carboxylate (PubChem CID 5081328) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 1,3-thiazolidin-3-ium-4-carboxylate.

Molecular Properties

Compound Name1,3-thiazolidin-3-ium-4-carboxylate
PubChem CID5081328
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC[NH2+]1
InChIInChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKeyDZLNHFMRPBPULJ-UHFFFAOYSA-N
XLogP-2.63
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidin-3-ium-4-carboxylate?
The IUPAC name of 1,3-thiazolidin-3-ium-4-carboxylate (CID 5081328) is 1,3-thiazolidin-3-ium-4-carboxylate.
What is the SMILES notation for 1,3-thiazolidin-3-ium-4-carboxylate?
The canonical SMILES for 1,3-thiazolidin-3-ium-4-carboxylate is O=C([O-])C1CSC[NH2+]1.
What is the InChIKey of 1,3-thiazolidin-3-ium-4-carboxylate?
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-thiazolidin-3-ium-4-carboxylate?
1,3-thiazolidin-3-ium-4-carboxylate has a molecular weight of 133.17 g/mol, XLogP of -2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-3-ium-4-carboxylate is sourced from PubChem (CID 5081328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).