3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H9FN2O3S — CID 104785479

IUPAC3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C10H9FN2O3S/c11-7-1-6(2-12-3-7)9(14)13-5-17-4-8(13)10(15)16/h1-3,8H,4-5H2,(H,15,16)
InChIKeyXBODSSDSGVTUOK-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.82
Rot. Bonds2

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

3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 104785479) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID104785479
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C10H9FN2O3S/c11-7-1-6(2-12-3-7)9(14)13-5-17-4-8(13)10(15)16/h1-3,8H,4-5H2,(H,15,16)
InChIKeyXBODSSDSGVTUOK-UHFFFAOYSA-N
XLogP0.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432811
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
(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
(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161523
(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144842
4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 114254248
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 53215677

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 104785479) is 3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cncc(F)c1.
What is the InChIKey of 3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XBODSSDSGVTUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c11-7-1-6(2-12-3-7)9(14)13-5-17-4-8(13)10(15)16/h1-3,8H,4-5H2,(H,15,16).
What are the key properties of 3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 104785479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).