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

C18H13F4NO3S — CID 42727751

IUPAC2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(F)cc2)N1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4NO3S/c19-13-6-4-10(5-7-13)16-23(14(9-27-16)17(25)26)15(24)11-2-1-3-12(8-11)18(20,21)22/h1-8,14,16H,9H2,(H,25,26)
InChIKeyOJZLATPEBOGPNE-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.19
Rot. Bonds3

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

2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42727751) has the molecular formula C18H13F4NO3S and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID42727751
Molecular FormulaC18H13F4NO3S
Molecular Weight399.37 g/mol
Exact Mass399.06
IUPAC Name2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(F)cc2)N1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4NO3S/c19-13-6-4-10(5-7-13)16-23(14(9-27-16)17(25)26)15(24)11-2-1-3-12(8-11)18(20,21)22/h1-8,14,16H,9H2,(H,25,26)
InChIKeyOJZLATPEBOGPNE-UHFFFAOYSA-N
XLogP4.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42727904
ethyl 2-phenyl-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728521
3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4984401
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 42727747
methyl 3-benzoyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate
CID 42729596
(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 93097515
methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728775
(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7296665
[3-(4-fluorophenyl)azepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121130934
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381
3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid (CID 42727751) is 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(F)cc2)N1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OJZLATPEBOGPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO3S/c19-13-6-4-10(5-7-13)16-23(14(9-27-16)17(25)26)15(24)11-2-1-3-12(8-11)18(20,21)22/h1-8,14,16H,9H2,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 399.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42727751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).