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

C14H13NO2S — CID 3141767

IUPAC2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cccc3ccccc23)N1
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
LogP2.63
Rot. Bonds2

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

2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3141767) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID3141767
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cccc3ccccc23)N1
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
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid (CID 3141767) is 2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2cccc3ccccc23)N1.
What is the InChIKey of 2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid?
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-thiazolidine-4-carboxylic acid?
2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 259.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3141767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).