sodium 1,3-thiazolidine-4-carboxylate

C4H6NNaO2S — CID 23686667

IUPACsodium 1,3-thiazolidine-4-carboxylate
SMILESO=C([O-])C1CSCN1.[Na+]
InChIInChI=1S/C4H7NO2S.Na/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7);/q;+1/p-1
InChIKeyYWLXEQKAKDKVBQ-UHFFFAOYSA-M
MW155.15 g/mol
LogP-4.60
Rot. Bonds1

About sodium 1,3-thiazolidine-4-carboxylate

sodium 1,3-thiazolidine-4-carboxylate (PubChem CID 23686667) has the molecular formula C4H6NNaO2S and a molecular weight of 155.15 g/mol. Its IUPAC name is sodium 1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namesodium 1,3-thiazolidine-4-carboxylate
PubChem CID23686667
Molecular FormulaC4H6NNaO2S
Molecular Weight155.15 g/mol
Exact Mass155.00
IUPAC Namesodium 1,3-thiazolidine-4-carboxylate
SMILESO=C([O-])C1CSCN1.[Na+]
InChIInChI=1S/C4H7NO2S.Na/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7);/q;+1/p-1
InChIKeyYWLXEQKAKDKVBQ-UHFFFAOYSA-M
XLogP-4.60
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-4.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 1,3-thiazolidine-4-carboxylate?
The IUPAC name of sodium 1,3-thiazolidine-4-carboxylate (CID 23686667) is sodium 1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for sodium 1,3-thiazolidine-4-carboxylate?
The canonical SMILES for sodium 1,3-thiazolidine-4-carboxylate is O=C([O-])C1CSCN1.[Na+].
What is the InChIKey of sodium 1,3-thiazolidine-4-carboxylate?
The InChIKey is YWLXEQKAKDKVBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO2S.Na/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7);/q;+1/p-1.
What are the key properties of sodium 1,3-thiazolidine-4-carboxylate?
sodium 1,3-thiazolidine-4-carboxylate has a molecular weight of 155.15 g/mol, XLogP of -4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 23686667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).