2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate

C14H13NO2S — CID 3291572

IUPAC2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC(c2cccc3ccccc23)[NH2+]1
InChIInChI=1S/C14H13NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13,15H,8H2,(H,16,17)
InChIKeyWSGHWUWDWJRTFR-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.27
Rot. Bonds2

About 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate

2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate (PubChem CID 3291572) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate.

Molecular Properties

Compound Name2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate
PubChem CID3291572
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC(c2cccc3ccccc23)[NH2+]1
InChIInChI=1S/C14H13NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13,15H,8H2,(H,16,17)
InChIKeyWSGHWUWDWJRTFR-UHFFFAOYSA-N
XLogP0.27
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate?
The IUPAC name of 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate (CID 3291572) is 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate.
What is the SMILES notation for 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate?
The canonical SMILES for 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate is O=C([O-])C1CSC(c2cccc3ccccc23)[NH2+]1.
What is the InChIKey of 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate?
The InChIKey is WSGHWUWDWJRTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13,15H,8H2,(H,16,17).
What are the key properties of 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate?
2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate has a molecular weight of 259.33 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1,3-thiazolidin-3-ium-4-carboxylate is sourced from PubChem (CID 3291572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).