2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid

C8H9NO3S — CID 2827740

IUPAC2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccco2)N1
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
LogP1.07
Rot. Bonds2

About 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid

2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2827740) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID2827740
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccco2)N1
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
XLogP1.07
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 2827740) is 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccco2)N1.
What is the InChIKey of 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid?
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-thiazolidine-4-carboxylic acid?
2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2827740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).