4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione

C17H11NO2S — CID 3148620

IUPAC4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESO=C1NC2=C(C(=O)c3ccccc32)C(c2ccccc2)S1
InChIInChI=1S/C17H11NO2S/c19-15-12-9-5-4-8-11(12)14-13(15)16(21-17(20)18-14)10-6-2-1-3-7-10/h1-9,16H,(H,18,20)
InChIKeyXYKHQKPEPZTMRU-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.79
Rot. Bonds1

About 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione

4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (PubChem CID 3148620) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.

Molecular Properties

Compound Name4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
PubChem CID3148620
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESO=C1NC2=C(C(=O)c3ccccc32)C(c2ccccc2)S1
InChIInChI=1S/C17H11NO2S/c19-15-12-9-5-4-8-11(12)14-13(15)16(21-17(20)18-14)10-6-2-1-3-7-10/h1-9,16H,(H,18,20)
InChIKeyXYKHQKPEPZTMRU-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The IUPAC name of 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (CID 3148620) is 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.
What is the SMILES notation for 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The canonical SMILES for 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is O=C1NC2=C(C(=O)c3ccccc32)C(c2ccccc2)S1.
What is the InChIKey of 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The InChIKey is XYKHQKPEPZTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c19-15-12-9-5-4-8-11(12)14-13(15)16(21-17(20)18-14)10-6-2-1-3-7-10/h1-9,16H,(H,18,20).
What are the key properties of 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione has a molecular weight of 293.35 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is sourced from PubChem (CID 3148620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).