(2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid

C10H11NO2S — CID 174965162

IUPAC(2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2ccccc2)NCCS1
InChIInChI=1S/C10H11NO2S/c12-9(13)10(11-6-7-14-10)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)/t10-/m0/s1
InChIKeyWRQBSPHBVXJRRL-JTQLQIEISA-N
MW209.27 g/mol
LogP1.26
Rot. Bonds2

About (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid

(2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid (PubChem CID 174965162) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid
PubChem CID174965162
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2ccccc2)NCCS1
InChIInChI=1S/C10H11NO2S/c12-9(13)10(11-6-7-14-10)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)/t10-/m0/s1
InChIKeyWRQBSPHBVXJRRL-JTQLQIEISA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid (CID 174965162) is (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid is O=C(O)[C@@]1(c2ccccc2)NCCS1.
What is the InChIKey of (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is WRQBSPHBVXJRRL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11NO2S/c12-9(13)10(11-6-7-14-10)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid?
(2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 209.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 174965162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).