2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid

C8H9NO2S2 — CID 542535

IUPAC2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)C1CNC(c2cccs2)S1
InChIInChI=1S/C8H9NO2S2/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h1-3,6-7,9H,4H2,(H,10,11)
InChIKeyPXPKRSPFFFQYAE-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.54
Rot. Bonds2

About 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid

2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid (PubChem CID 542535) has the molecular formula C8H9NO2S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid
PubChem CID542535
Molecular FormulaC8H9NO2S2
Molecular Weight215.30 g/mol
Exact Mass215.01
IUPAC Name2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)C1CNC(c2cccs2)S1
InChIInChI=1S/C8H9NO2S2/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h1-3,6-7,9H,4H2,(H,10,11)
InChIKeyPXPKRSPFFFQYAE-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid (CID 542535) is 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid is O=C(O)C1CNC(c2cccs2)S1.
What is the InChIKey of 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid?
The InChIKey is PXPKRSPFFFQYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S2/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h1-3,6-7,9H,4H2,(H,10,11).
What are the key properties of 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid?
2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid has a molecular weight of 215.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,3-thiazolidine-5-carboxylic acid is sourced from PubChem (CID 542535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).