(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

C11H8F3NO3S — CID 79749977

IUPAC(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H8F3NO3S/c12-6-2-1-5(8(13)9(6)14)10(16)15-4-19-3-7(15)11(17)18/h1-2,7H,3-4H2,(H,17,18)/t7-/m0/s1
InChIKeyNWVPRMKUZISTHB-ZETCQYMHSA-N
MW291.25 g/mol
LogP1.70
Rot. Bonds2

About (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79749977) has the molecular formula C11H8F3NO3S and a molecular weight of 291.25 g/mol. Its IUPAC name is (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID79749977
Molecular FormulaC11H8F3NO3S
Molecular Weight291.25 g/mol
Exact Mass291.02
IUPAC Name(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H8F3NO3S/c12-6-2-1-5(8(13)9(6)14)10(16)15-4-19-3-7(15)11(17)18/h1-2,7H,3-4H2,(H,17,18)/t7-/m0/s1
InChIKeyNWVPRMKUZISTHB-ZETCQYMHSA-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-(2,6-difluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82814856
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 115298473
3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207
(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161523
3-[2-[[2-(4-carboxy-1,3-thiazolidine-3-carbonyl)-4-chlorophenyl]disulfanyl]-5-chlorobenzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 10627468
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107721616
3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104772644
(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144842
(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106500237

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 79749977) is (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NWVPRMKUZISTHB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H8F3NO3S/c12-6-2-1-5(8(13)9(6)14)10(16)15-4-19-3-7(15)11(17)18/h1-2,7H,3-4H2,(H,17,18)/t7-/m0/s1.
What are the key properties of (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2,3,4-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 (4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79749977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).