(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H9FN2O3S — CID 115496373

IUPAC(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cccc(F)n1
InChIInChI=1S/C10H9FN2O3S/c11-8-3-1-2-6(12-8)9(14)13-5-17-4-7(13)10(15)16/h1-3,7H,4-5H2,(H,15,16)/t7-/m0/s1
InChIKeyLTQKUQOURLDHAH-ZETCQYMHSA-N
MW256.26 g/mol
LogP0.82
Rot. Bonds2

About (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 115496373) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID115496373
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cccc(F)n1
InChIInChI=1S/C10H9FN2O3S/c11-8-3-1-2-6(12-8)9(14)13-5-17-4-7(13)10(15)16/h1-3,7H,4-5H2,(H,15,16)/t7-/m0/s1
InChIKeyLTQKUQOURLDHAH-ZETCQYMHSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
CID 119183482
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971313
3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62789131
(4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65214603
3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359284
3-(1-phenyltriazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359250
(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79749977
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211281
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 66376704

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 115496373) is (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1cccc(F)n1.
What is the InChIKey of (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LTQKUQOURLDHAH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c11-8-3-1-2-6(12-8)9(14)13-5-17-4-7(13)10(15)16/h1-3,7H,4-5H2,(H,15,16)/t7-/m0/s1.
What are the key properties of (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(6-fluoropyridine-2-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 (4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 115496373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).