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

C20H16N2O2S — CID 18973286

IUPAC(5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(c1ccccc1)n1ccc2c(/C=C3\SC(=O)NC3=O)cccc21
InChIInChI=1S/C20H16N2O2S/c1-13(14-6-3-2-4-7-14)22-11-10-16-15(8-5-9-17(16)22)12-18-19(23)21-20(24)25-18/h2-13H,1H3,(H,21,23,24)/b18-12-
InChIKeyRWINWTRZFRJNQS-PDGQHHTCSA-N
MW348.43 g/mol
LogP4.57
Rot. Bonds3

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

(5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18973286) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18973286
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name(5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(c1ccccc1)n1ccc2c(/C=C3\SC(=O)NC3=O)cccc21
InChIInChI=1S/C20H16N2O2S/c1-13(14-6-3-2-4-7-14)22-11-10-16-15(8-5-9-17(16)22)12-18-19(23)21-20(24)25-18/h2-13H,1H3,(H,21,23,24)/b18-12-
InChIKeyRWINWTRZFRJNQS-PDGQHHTCSA-N
XLogP4.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.57
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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Related Compounds

(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973426
5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73473994
(5Z)-5-[[1-(2-ethylbutyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973529
(5Z)-5-[[1-(2-phenyl-2-phenylmethoxyethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973288
(5Z)-5-[[1-(3-phenylpropyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973409
(5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973244
(5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973365
(5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87224542
(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 89110146
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
5-[[3-[phenyl-[[(1S)-1-phenylethyl]amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 139837932
5-[(3-propan-2-yloxy-2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 90837457

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 18973286) is (5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is CC(c1ccccc1)n1ccc2c(/C=C3\SC(=O)NC3=O)cccc21.
What is the InChIKey of (5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is RWINWTRZFRJNQS-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13(14-6-3-2-4-7-14)22-11-10-16-15(8-5-9-17(16)22)12-18-19(23)21-20(24)25-18/h2-13H,1H3,(H,21,23,24)/b18-12-.
What are the key properties of (5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 348.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18973286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).