5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C18H20N2O2S — CID 73473994

IUPAC5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCC(CC)Cn1ccc2c(C=C3SC(=O)NC3=O)cccc21
InChIInChI=1S/C18H20N2O2S/c1-3-12(4-2)11-20-9-8-14-13(6-5-7-15(14)20)10-16-17(21)19-18(22)23-16/h5-10,12H,3-4,11H2,1-2H3,(H,19,21,22)
InChIKeyUSFKQFTUIOATLY-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.40
Rot. Bonds5

About 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 73473994) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID73473994
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCC(CC)Cn1ccc2c(C=C3SC(=O)NC3=O)cccc21
InChIInChI=1S/C18H20N2O2S/c1-3-12(4-2)11-20-9-8-14-13(6-5-7-15(14)20)10-16-17(21)19-18(22)23-16/h5-10,12H,3-4,11H2,1-2H3,(H,19,21,22)
InChIKeyUSFKQFTUIOATLY-UHFFFAOYSA-N
XLogP4.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 73473994) is 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is CCC(CC)Cn1ccc2c(C=C3SC(=O)NC3=O)cccc21.
What is the InChIKey of 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is USFKQFTUIOATLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-12(4-2)11-20-9-8-14-13(6-5-7-15(14)20)10-16-17(21)19-18(22)23-16/h5-10,12H,3-4,11H2,1-2H3,(H,19,21,22).
What are the key properties of 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 328.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 73473994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).