2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one

C16H9FN4OS — CID 3074000

IUPAC2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
SMILESO=c1nc(Nc2ccc(F)cc2)sc2nc3ccccc3nc12
InChIInChI=1S/C16H9FN4OS/c17-9-5-7-10(8-6-9)18-16-21-14(22)13-15(23-16)20-12-4-2-1-3-11(12)19-13/h1-8H,(H,18,21,22)
InChIKeyAZTPBRQBOWJXSU-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.48
Rot. Bonds2

About 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one

2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one (PubChem CID 3074000) has the molecular formula C16H9FN4OS and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one.

Molecular Properties

Compound Name2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
PubChem CID3074000
Molecular FormulaC16H9FN4OS
Molecular Weight324.34 g/mol
Exact Mass324.05
IUPAC Name2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
SMILESO=c1nc(Nc2ccc(F)cc2)sc2nc3ccccc3nc12
InChIInChI=1S/C16H9FN4OS/c17-9-5-7-10(8-6-9)18-16-21-14(22)13-15(23-16)20-12-4-2-1-3-11(12)19-13/h1-8H,(H,18,21,22)
InChIKeyAZTPBRQBOWJXSU-UHFFFAOYSA-N
XLogP3.48
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one?
The IUPAC name of 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one (CID 3074000) is 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one.
What is the SMILES notation for 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one?
The canonical SMILES for 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one is O=c1nc(Nc2ccc(F)cc2)sc2nc3ccccc3nc12.
What is the InChIKey of 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one?
The InChIKey is AZTPBRQBOWJXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4OS/c17-9-5-7-10(8-6-9)18-16-21-14(22)13-15(23-16)20-12-4-2-1-3-11(12)19-13/h1-8H,(H,18,21,22).
What are the key properties of 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one?
2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one has a molecular weight of 324.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one is sourced from PubChem (CID 3074000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).