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

C10H10FNO2S — CID 728172

IUPAC(2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C10H10FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)/t8-,9+/m0/s1
InChIKeyGPKWJQGAXZSDCF-DTWKUNHWSA-N
MW227.26 g/mol
LogP1.61
Rot. Bonds2

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

(2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 728172) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is (2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID728172
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name(2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C10H10FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)/t8-,9+/m0/s1
InChIKeyGPKWJQGAXZSDCF-DTWKUNHWSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.61
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 (2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 728172) is (2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS[C@H](c2ccc(F)cc2)N1.
What is the InChIKey of (2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GPKWJQGAXZSDCF-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H10FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of (2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 728172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).