2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid

C9H10N2O2S — CID 3020041

IUPAC2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccn2)N1
InChIInChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-4,7-8,11H,5H2,(H,12,13)
InChIKeyFRABGDHEKOTVGC-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.87
Rot. Bonds2

About 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid

2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3020041) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID3020041
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccn2)N1
InChIInChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-4,7-8,11H,5H2,(H,12,13)
InChIKeyFRABGDHEKOTVGC-UHFFFAOYSA-N
XLogP0.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 3020041) is 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccccn2)N1.
What is the InChIKey of 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FRABGDHEKOTVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-4,7-8,11H,5H2,(H,12,13).
What are the key properties of 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid?
2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 210.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3020041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).