2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid

C11H13NO2S — CID 569775

IUPAC2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(C2NC(C(=O)O)CS2)cc1
InChIInChI=1S/C11H13NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)
InChIKeyHTRWLFRKMUVNPG-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.78
Rot. Bonds2

About 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid

2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 569775) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID569775
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(C2NC(C(=O)O)CS2)cc1
InChIInChI=1S/C11H13NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)
InChIKeyHTRWLFRKMUVNPG-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 569775) is 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid is Cc1ccc(C2NC(C(=O)O)CS2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HTRWLFRKMUVNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 223.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 569775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).