(2S)-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 1257533

IUPAC(2S)-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
SMILESCC1=CC(C)(C)N2C(=O)[C@@]3(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/t23-/m0/s1
InChIKeyLAMFLBUXIPOABX-QHCPKHFHSA-N
MW408.50 g/mol
LogP4.61
Rot. Bonds1

About (2S)-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

(2S)-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 1257533) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is (2S)-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 Name(2S)-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 CID1257533
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC Name(2S)-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
SMILESCC1=CC(C)(C)N2C(=O)[C@@]3(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/t23-/m0/s1
InChIKeyLAMFLBUXIPOABX-QHCPKHFHSA-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 (2S)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethylphenyl)-6'-ethoxy-9',11',11'-trimethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione
CID 16566963
(2R,9'S)-3-(4-hydroxyphenyl)-6',9',11',11'-tetramethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
CID 7678175
(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42554574
6,9,11,11-tetramethylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,2'-3H-1,3-benzothiazole]-2-one
CID 2960446
(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7830115
N-benzyl-2-[(2S)-3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 41198215
3-(3-fluorophenyl)-5',7'-dimethylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 11233169
2-[3-(4-fluorophenyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2-methoxyphenyl)acetamide
CID 16823412
N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 41198320
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 7245556
3-(4-fluorophenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922317
(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7066927

Frequently Asked Questions

What is the IUPAC name of (2S)-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 (2S)-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 1257533) is (2S)-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 (2S)-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 (2S)-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)[C@@]3(SCC(=O)N3c3ccc(F)cc3)c3cc(C)cc1c32.
What is the InChIKey of (2S)-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-QHCPKHFHSA-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/t23-/m0/s1.
What are the key properties of (2S)-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?
(2S)-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 (2S)-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 1257533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).