3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid

C10H10N2O3S — CID 22256724

IUPAC3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)C1SCCN1C(=O)c1cccnc1
InChIInChI=1S/C10H10N2O3S/c13-8(7-2-1-3-11-6-7)12-4-5-16-9(12)10(14)15/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyTUMNUJANODIMGE-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.68
Rot. Bonds2

About 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid

3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid (PubChem CID 22256724) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid
PubChem CID22256724
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)C1SCCN1C(=O)c1cccnc1
InChIInChI=1S/C10H10N2O3S/c13-8(7-2-1-3-11-6-7)12-4-5-16-9(12)10(14)15/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyTUMNUJANODIMGE-UHFFFAOYSA-N
XLogP0.68
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid
CID 172854728
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
pyridin-3-yl(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122270184
3-(4-nitrobenzoyl)-1,3-thiazolidine-2-carboxylic acid
CID 3995386
(4-phenylphenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
CID 4129927
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082

Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid (CID 22256724) is 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid is O=C(O)C1SCCN1C(=O)c1cccnc1.
What is the InChIKey of 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is TUMNUJANODIMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-8(7-2-1-3-11-6-7)12-4-5-16-9(12)10(14)15/h1-3,6,9H,4-5H2,(H,14,15).
What are the key properties of 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid?
3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 22256724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).