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

C10H8F3NO2S — CID 598736

IUPAC2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2c(F)cc(F)cc2F)N1
InChIInChI=1S/C10H8F3NO2S/c11-4-1-5(12)8(6(13)2-4)9-14-7(3-17-9)10(15)16/h1-2,7,9,14H,3H2,(H,15,16)
InChIKeyUHKSPZGOKXICPS-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.89
Rot. Bonds2

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

2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 598736) has the molecular formula C10H8F3NO2S and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID598736
Molecular FormulaC10H8F3NO2S
Molecular Weight263.24 g/mol
Exact Mass263.02
IUPAC Name2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2c(F)cc(F)cc2F)N1
InChIInChI=1S/C10H8F3NO2S/c11-4-1-5(12)8(6(13)2-4)9-14-7(3-17-9)10(15)16/h1-2,7,9,14H,3H2,(H,15,16)
InChIKeyUHKSPZGOKXICPS-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.89
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-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 598736) is 2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2c(F)cc(F)cc2F)N1.
What is the InChIKey of 2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UHKSPZGOKXICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2S/c11-4-1-5(12)8(6(13)2-4)9-14-7(3-17-9)10(15)16/h1-2,7,9,14H,3H2,(H,15,16).
What are the key properties of 2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 263.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 598736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).