fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate

C16H12F2N2O3S — CID 145367166

IUPACfluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate
SMILESCc1nc(C(=O)OF)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2O3S/c1-9-13(7-6-12(19-9)16(22)23-18)20-14(21)8-24-15(20)10-2-4-11(17)5-3-10/h2-7,15H,8H2,1H3
InChIKeyHPAPCTFPQXHVNT-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.35
Rot. Bonds3

About fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate

fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate (PubChem CID 145367166) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namefluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate
PubChem CID145367166
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC Namefluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate
SMILESCc1nc(C(=O)OF)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2O3S/c1-9-13(7-6-12(19-9)16(22)23-18)20-14(21)8-24-15(20)10-2-4-11(17)5-3-10/h2-7,15H,8H2,1H3
InChIKeyHPAPCTFPQXHVNT-UHFFFAOYSA-N
XLogP3.35
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate?
The IUPAC name of fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate (CID 145367166) is fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate.
What is the SMILES notation for fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate?
The canonical SMILES for fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate is Cc1nc(C(=O)OF)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate?
The InChIKey is HPAPCTFPQXHVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-9-13(7-6-12(19-9)16(22)23-18)20-14(21)8-24-15(20)10-2-4-11(17)5-3-10/h2-7,15H,8H2,1H3.
What are the key properties of fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate?
fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate has a molecular weight of 350.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 5-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 145367166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).