(4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

C11H10F3NO2S2 — CID 61147742

IUPAC(4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccc(SC(F)(F)F)cc2)N1
InChIInChI=1S/C11H10F3NO2S2/c12-11(13,14)19-7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-4,8-9,15H,5H2,(H,16,17)/t8-,9?/m0/s1
InChIKeyDVQGWGKPINLBRG-IENPIDJESA-N
MW309.33 g/mol
LogP3.09
Rot. Bonds3

About (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61147742) has the molecular formula C11H10F3NO2S2 and a molecular weight of 309.33 g/mol. Its IUPAC name is (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61147742
Molecular FormulaC11H10F3NO2S2
Molecular Weight309.33 g/mol
Exact Mass309.01
IUPAC Name(4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccc(SC(F)(F)F)cc2)N1
InChIInChI=1S/C11H10F3NO2S2/c12-11(13,14)19-7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-4,8-9,15H,5H2,(H,16,17)/t8-,9?/m0/s1
InChIKeyDVQGWGKPINLBRG-IENPIDJESA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(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
2-[2-[4-(Aminomethyl)phenyl]sulfanylethylamino]acetic acid
CID 10466829
2-(3-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 496375
2-(3-Heptyl-phenyl)-thiazolidine-4-carboxylic acid
CID 9883039
2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic Acid
CID 3291583
(4R)-2-phenylthiazolidine-4-carboxylic acid
CID 11009168

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 61147742) is (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2ccc(SC(F)(F)F)cc2)N1.
What is the InChIKey of (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DVQGWGKPINLBRG-IENPIDJESA-N. The full InChI is InChI=1S/C11H10F3NO2S2/c12-11(13,14)19-7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-4,8-9,15H,5H2,(H,16,17)/t8-,9?/m0/s1.
What are the key properties of (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61147742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).