3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

C11H8F3NO3S — CID 63184099

IUPAC3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H8F3NO3S/c12-6-1-5(2-7(13)9(6)14)10(16)15-4-19-3-8(15)11(17)18/h1-2,8H,3-4H2,(H,17,18)
InChIKeyWIJYSSTVGXOGIA-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.70
Rot. Bonds2

About 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63184099) has the molecular formula C11H8F3NO3S and a molecular weight of 291.25 g/mol. Its IUPAC name is 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63184099
Molecular FormulaC11H8F3NO3S
Molecular Weight291.25 g/mol
Exact Mass291.02
IUPAC Name3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H8F3NO3S/c12-6-1-5(2-7(13)9(6)14)10(16)15-4-19-3-8(15)11(17)18/h1-2,8H,3-4H2,(H,17,18)
InChIKeyWIJYSSTVGXOGIA-UHFFFAOYSA-N
XLogP1.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104785479
(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79749977
(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144842
(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 53215677
3-(2,6-difluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82814856
(4R)-3-(3,5-dichloro-4-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144844
(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 115298473
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207
3-[4-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359320

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63184099) is 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WIJYSSTVGXOGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3S/c12-6-1-5(2-7(13)9(6)14)10(16)15-4-19-3-8(15)11(17)18/h1-2,8H,3-4H2,(H,17,18).
What are the key properties of 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 291.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63184099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).