3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione

C23H21FN2O2S — CID 2981819

IUPAC3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione
SMILESCC1=CC(C)(C)N2C(=O)C3(SCC(=O)N3c3ccc(F)cc3)c3cc(C)cc1c32
InChIInChI=1S/C23H21FN2O2S/c1-13-9-17-14(2)11-22(3,4)26-20(17)18(10-13)23(21(26)28)25(19(27)12-29-23)16-7-5-15(24)6-8-16/h5-11H,12H2,1-4H3
InChIKeyLAMFLBUXIPOABX-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.61
Rot. Bonds1

About 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione

3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione (PubChem CID 2981819) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione
PubChem CID2981819
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC Name3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione
SMILESCC1=CC(C)(C)N2C(=O)C3(SCC(=O)N3c3ccc(F)cc3)c3cc(C)cc1c32
InChIInChI=1S/C23H21FN2O2S/c1-13-9-17-14(2)11-22(3,4)26-20(17)18(10-13)23(21(26)28)25(19(27)12-29-23)16-7-5-15(24)6-8-16/h5-11H,12H2,1-4H3
InChIKeyLAMFLBUXIPOABX-UHFFFAOYSA-N
XLogP4.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione?
The IUPAC name of 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione (CID 2981819) is 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione is CC1=CC(C)(C)N2C(=O)C3(SCC(=O)N3c3ccc(F)cc3)c3cc(C)cc1c32.
What is the InChIKey of 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione?
The InChIKey is LAMFLBUXIPOABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-13-9-17-14(2)11-22(3,4)26-20(17)18(10-13)23(21(26)28)25(19(27)12-29-23)16-7-5-15(24)6-8-16/h5-11H,12H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione?
3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione has a molecular weight of 408.50 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione is sourced from PubChem (CID 2981819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).