3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C13H10FNO3S2 — CID 43172251

IUPAC3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H10FNO3S2/c14-8-1-2-10-7(3-8)4-11(20-10)12(16)15-6-19-5-9(15)13(17)18/h1-4,9H,5-6H2,(H,17,18)
InChIKeyFCXJDJLVIZATOO-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.64
Rot. Bonds2

About 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172251) has the molecular formula C13H10FNO3S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172251
Molecular FormulaC13H10FNO3S2
Molecular Weight311.36 g/mol
Exact Mass311.01
IUPAC Name3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H10FNO3S2/c14-8-1-2-10-7(3-8)4-11(20-10)12(16)15-6-19-5-9(15)13(17)18/h1-4,9H,5-6H2,(H,17,18)
InChIKeyFCXJDJLVIZATOO-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-fluoro-1-benzothiophene-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 78979974
3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 80733741
(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161523
(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 115298473
(4R)-3-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143467
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207
3-(1-benzothiophene-2-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 71879816
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 78979821
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184642
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 121186953
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43172251) is 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cc2cc(F)ccc2s1.
What is the InChIKey of 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FCXJDJLVIZATOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S2/c14-8-1-2-10-7(3-8)4-11(20-10)12(16)15-6-19-5-9(15)13(17)18/h1-4,9H,5-6H2,(H,17,18).
What are the key properties of 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).