(2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate

C10H11NO2S — CID 6941700

IUPAC(2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate
SMILESO=C([O-])[C@H]1C[NH2+][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-/m1/s1
InChIKeyQMLCPYVRJKOHQA-RKDXNWHRSA-N
MW209.27 g/mol
LogP-0.89
Rot. Bonds2

About (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate

(2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate (PubChem CID 6941700) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate.

Molecular Properties

Compound Name(2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate
PubChem CID6941700
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate
SMILESO=C([O-])[C@H]1C[NH2+][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-/m1/s1
InChIKeyQMLCPYVRJKOHQA-RKDXNWHRSA-N
XLogP-0.89
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate?
The IUPAC name of (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate (CID 6941700) is (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate.
What is the SMILES notation for (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate?
The canonical SMILES for (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate is O=C([O-])[C@H]1C[NH2+][C@@H](c2ccccc2)S1.
What is the InChIKey of (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate?
The InChIKey is QMLCPYVRJKOHQA-RKDXNWHRSA-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-/m1/s1.
What are the key properties of (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate?
(2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate has a molecular weight of 209.27 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-phenyl-1,3-thiazolidin-3-ium-5-carboxylate is sourced from PubChem (CID 6941700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).