2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate

C8H9NO3S — CID 3279997

IUPAC2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC(c2ccco2)[NH2+]1
InChIInChI=1S/C8H9NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)
InChIKeyVYGBVPOHBURDGB-UHFFFAOYSA-N
MW199.23 g/mol
LogP-1.29
Rot. Bonds2

About 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate

2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate (PubChem CID 3279997) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate.

Molecular Properties

Compound Name2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
PubChem CID3279997
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC(c2ccco2)[NH2+]1
InChIInChI=1S/C8H9NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)
InChIKeyVYGBVPOHBURDGB-UHFFFAOYSA-N
XLogP-1.29
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate?
The IUPAC name of 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate (CID 3279997) is 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate.
What is the SMILES notation for 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate?
The canonical SMILES for 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate is O=C([O-])C1CSC(c2ccco2)[NH2+]1.
What is the InChIKey of 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate?
The InChIKey is VYGBVPOHBURDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11).
What are the key properties of 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate?
2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate has a molecular weight of 199.23 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate is sourced from PubChem (CID 3279997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).