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

C10H9F2NO2S — CID 54330427

IUPAC(4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2cccc(F)c2F)N1
InChIInChI=1S/C10H9F2NO2S/c11-6-3-1-2-5(8(6)12)9-13-7(4-16-9)10(14)15/h1-3,7,9,13H,4H2,(H,14,15)/t7-,9?/m0/s1
InChIKeySXYNWHGQPFONNX-JAVCKPHESA-N
MW245.25 g/mol
LogP1.75
Rot. Bonds2

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

(4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54330427) has the molecular formula C10H9F2NO2S and a molecular weight of 245.25 g/mol. Its IUPAC name is (4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID54330427
Molecular FormulaC10H9F2NO2S
Molecular Weight245.25 g/mol
Exact Mass245.03
IUPAC Name(4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2cccc(F)c2F)N1
InChIInChI=1S/C10H9F2NO2S/c11-6-3-1-2-5(8(6)12)9-13-7(4-16-9)10(14)15/h1-3,7,9,13H,4H2,(H,14,15)/t7-,9?/m0/s1
InChIKeySXYNWHGQPFONNX-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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Related Compounds

2-Phenylthiazolidine-4-carboxylic acid
CID 39237
2-(4-Methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 569775
5,5-Dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 41947
2-(2-Phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 666161
2-(4-Ethylphenyl)Thiazolidine-4-Carboxylic Acid
CID 3141768
2-(3-Bromophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2787214
2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827731
8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 2763859
(S)2-Benzylamino-3-mercapto-propionic acid
CID 11052950
2-Benzylamino-3-mercapto-propionic acid
CID 15366953
(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 54587081
(4R)-2-(naphthalen-1-yl)-1,3-thiazolidine-4-carboxylic acid
CID 11196223

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 54330427) is (4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2cccc(F)c2F)N1.
What is the InChIKey of (4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SXYNWHGQPFONNX-JAVCKPHESA-N. The full InChI is InChI=1S/C10H9F2NO2S/c11-6-3-1-2-5(8(6)12)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-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(2,3-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-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54330427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).