3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid

C10H12N2O2S — CID 172854728

IUPAC3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)C1SCCN1Cc1cccnc1
InChIInChI=1S/C10H12N2O2S/c13-10(14)9-12(4-5-15-9)7-8-2-1-3-11-6-8/h1-3,6,9H,4-5,7H2,(H,13,14)
InChIKeyYNTAXBCCTPYETM-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.04
Rot. Bonds3

About 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid

3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid (PubChem CID 172854728) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid
PubChem CID172854728
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)C1SCCN1Cc1cccnc1
InChIInChI=1S/C10H12N2O2S/c13-10(14)9-12(4-5-15-9)7-8-2-1-3-11-6-8/h1-3,6,9H,4-5,7H2,(H,13,14)
InChIKeyYNTAXBCCTPYETM-UHFFFAOYSA-N
XLogP1.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2-carboxylic acid
CID 84818067
3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid
CID 22256724
3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine
CID 131052532
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776
4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 71649668
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 162790633
4-(pyridin-3-ylmethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82903979
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
[3-(4-fluorobenzoyl)-1,3-thiazolidin-2-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23963076
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzoic acid
CID 25408292
3-pyridin-3-ylpropyl 3-oxaldehydoyl-1,3-thiazolidine-2-carboxylate
CID 89383430

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid (CID 172854728) is 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid is O=C(O)C1SCCN1Cc1cccnc1.
What is the InChIKey of 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is YNTAXBCCTPYETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-10(14)9-12(4-5-15-9)7-8-2-1-3-11-6-8/h1-3,6,9H,4-5,7H2,(H,13,14).
What are the key properties of 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid?
3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 172854728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).