(4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid

C10H9F2NO2S — CID 61146788

IUPAC(4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2c(F)cccc2F)N1
InChIInChI=1S/C10H9F2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-3,7,9,13H,4H2,(H,14,15)/t7-,9?/m0/s1
InChIKeyYMEKBOAOXZRDPA-JAVCKPHESA-N
MW245.25 g/mol
LogP1.75
Rot. Bonds2

About (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61146788) has the molecular formula C10H9F2NO2S and a molecular weight of 245.25 g/mol. Its IUPAC name is (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61146788
Molecular FormulaC10H9F2NO2S
Molecular Weight245.25 g/mol
Exact Mass245.03
IUPAC Name(4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2c(F)cccc2F)N1
InChIInChI=1S/C10H9F2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-3,7,9,13H,4H2,(H,14,15)/t7-,9?/m0/s1
InChIKeyYMEKBOAOXZRDPA-JAVCKPHESA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 61146788) is (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2c(F)cccc2F)N1.
What is the InChIKey of (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YMEKBOAOXZRDPA-JAVCKPHESA-N. The full InChI is InChI=1S/C10H9F2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-3,7,9,13H,4H2,(H,14,15)/t7-,9?/m0/s1.
What are the key properties of (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 245.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61146788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).