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

C11H10F3NO2S — CID 500333

IUPAC2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)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)
InChIKeyIYXKNSQXIDNVDV-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.49
Rot. Bonds2

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

2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 500333) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID500333
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)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)
InChIKeyIYXKNSQXIDNVDV-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.49
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
2-(3-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 496375

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 500333) is 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IYXKNSQXIDNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c12-11(13,14)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).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 277.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 500333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).