(2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid

C10H11NO2S — CID 774047

IUPAC(2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)[C@@H]1CN[C@H](c2ccccc2)S1
InChIInChI=1S/C10H11NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)/t8-,9-/m0/s1
InChIKeyQMLCPYVRJKOHQA-IUCAKERBSA-N
MW209.27 g/mol
LogP1.47
Rot. Bonds2

About (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid

(2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid (PubChem CID 774047) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid
PubChem CID774047
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)[C@@H]1CN[C@H](c2ccccc2)S1
InChIInChI=1S/C10H11NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)/t8-,9-/m0/s1
InChIKeyQMLCPYVRJKOHQA-IUCAKERBSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-phenyl-1,3-thiazolidine-5-carboxylic acid
CID 101033046
2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid
CID 5003520
5-phenylthiolane-2-carboxylic acid
CID 146504602
(3R,4R,6R)-4,6-diphenylpiperidine-3-carboxylic acid
CID 11868274
2-phenyl-1,3-thiazinane-4-carboxylic acid
CID 60919404
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
acetic acid;2,5-diphenylpiperazine
CID 157254746
5-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 21253300
2-phenylthiomorpholine-3-carboxylic acid
CID 82279523
4-(5-methyl-1,3-thiazolidin-2-yl)phenol
CID 56624787
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(2S,4R)-4-phenyl-3,4-dihydro-2H-thiochromene-2-carboxylic acid
CID 129409736

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid (CID 774047) is (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid is O=C(O)[C@@H]1CN[C@H](c2ccccc2)S1.
What is the InChIKey of (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid?
The InChIKey is QMLCPYVRJKOHQA-IUCAKERBSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid?
(2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid has a molecular weight of 209.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid is sourced from PubChem (CID 774047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).