(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

C11H11FN2O3S — CID 61161523

IUPAC(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNc1ccc(F)cc1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H11FN2O3S/c12-6-1-2-8(13)7(3-6)10(15)14-5-18-4-9(14)11(16)17/h1-3,9H,4-5,13H2,(H,16,17)/t9-/m0/s1
InChIKeyKNZFIJQSNAGPLU-VIFPVBQESA-N
MW270.28 g/mol
LogP1.01
Rot. Bonds2

About (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61161523) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61161523
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC Name(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNc1ccc(F)cc1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H11FN2O3S/c12-6-1-2-8(13)7(3-6)10(15)14-5-18-4-9(14)11(16)17/h1-3,9H,4-5,13H2,(H,16,17)/t9-/m0/s1
InChIKeyKNZFIJQSNAGPLU-VIFPVBQESA-N
XLogP1.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 115298473
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207
3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172251
(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79749977
1-(2-amino-5-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61157060
3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359168
(4R)-3-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143467
(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107721616
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106500237
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104785479

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61161523) is (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is Nc1ccc(F)cc1C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KNZFIJQSNAGPLU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11FN2O3S/c12-6-1-2-8(13)7(3-6)10(15)14-5-18-4-9(14)11(16)17/h1-3,9H,4-5,13H2,(H,16,17)/t9-/m0/s1.
What are the key properties of (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61161523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).