2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one

C16H10N4OS — CID 3073990

IUPAC2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one
SMILESO=c1nc(Nc2ccccc2)sc2nc3ccccc3nc12
InChIInChI=1S/C16H10N4OS/c21-14-13-15(19-12-9-5-4-8-11(12)18-13)22-16(20-14)17-10-6-2-1-3-7-10/h1-9H,(H,17,20,21)
InChIKeyNXVCSULCYGSMRB-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.34
Rot. Bonds2

About 2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one

2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one (PubChem CID 3073990) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one.

Molecular Properties

Compound Name2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one
PubChem CID3073990
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one
SMILESO=c1nc(Nc2ccccc2)sc2nc3ccccc3nc12
InChIInChI=1S/C16H10N4OS/c21-14-13-15(19-12-9-5-4-8-11(12)18-13)22-16(20-14)17-10-6-2-1-3-7-10/h1-9H,(H,17,20,21)
InChIKeyNXVCSULCYGSMRB-UHFFFAOYSA-N
XLogP3.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.34
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-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one?
The IUPAC name of 2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one (CID 3073990) is 2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one.
What is the SMILES notation for 2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one?
The canonical SMILES for 2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one is O=c1nc(Nc2ccccc2)sc2nc3ccccc3nc12.
What is the InChIKey of 2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one?
The InChIKey is NXVCSULCYGSMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c21-14-13-15(19-12-9-5-4-8-11(12)18-13)22-16(20-14)17-10-6-2-1-3-7-10/h1-9H,(H,17,20,21).
What are the key properties of 2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one?
2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one has a molecular weight of 306.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one is sourced from PubChem (CID 3073990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).