(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

C23H24N2O3S — CID 7678175

IUPAC(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
SMILESCc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1ccc(O)cc1)C(=O)N3C(C)(C)C[C@@H]2C
InChIInChI=1S/C23H24N2O3S/c1-13-9-17-14(2)11-22(3,4)25-20(17)18(10-13)23(21(25)28)24(19(27)12-29-23)15-5-7-16(26)8-6-15/h5-10,14,26H,11-12H2,1-4H3/t14-,23+/m0/s1
InChIKeyULMSZBUACBYOBG-LFVRLGFBSA-N
MW408.52 g/mol
LogP4.27
Rot. Bonds1

About (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

(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 (PubChem CID 7678175) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID7678175
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name(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
SMILESCc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1ccc(O)cc1)C(=O)N3C(C)(C)C[C@@H]2C
InChIInChI=1S/C23H24N2O3S/c1-13-9-17-14(2)11-22(3,4)25-20(17)18(10-13)23(21(25)28)24(19(27)12-29-23)15-5-7-16(26)8-6-15/h5-10,14,26H,11-12H2,1-4H3/t14-,23+/m0/s1
InChIKeyULMSZBUACBYOBG-LFVRLGFBSA-N
XLogP4.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

3-(3-chloro-4-fluorophenyl)-9',11',11'-trimethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
CID 4891842
(2S,9'R)-6'-methoxy-9',11',11'-trimethyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
CID 124542471
(2R,9'S)-6'-methoxy-9',11',11'-trimethyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
CID 124542468
3-(4-chloro-3-fluorophenyl)-6'-ethoxy-9',11',11'-trimethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
CID 5305862
(2S,9'R)-3-(4-chloro-3-fluorophenyl)-6'-ethoxy-9',11',11'-trimethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
CID 42583267
(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
(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7830115
1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
CID 19835312
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
1'-acetyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750665
(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42554574
(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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1ccc(O)cc1)C(=O)N3C(C)(C)C[C@@H]2C.
What is the InChIKey of (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?
The InChIKey is ULMSZBUACBYOBG-LFVRLGFBSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-13-9-17-14(2)11-22(3,4)25-20(17)18(10-13)23(21(25)28)24(19(27)12-29-23)15-5-7-16(26)8-6-15/h5-10,14,26H,11-12H2,1-4H3/t14-,23+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 408.52 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 7678175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).