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

C20H16N2O2S — CID 18973244

IUPAC(5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(Cn2ccc3c(/C=C4\SC(=O)NC4=O)cccc32)c1
InChIInChI=1S/C20H16N2O2S/c1-13-4-2-5-14(10-13)12-22-9-8-16-15(6-3-7-17(16)22)11-18-19(23)21-20(24)25-18/h2-11H,12H2,1H3,(H,21,23,24)/b18-11-
InChIKeyQSGKKAHSTUQEOO-WQRHYEAKSA-N
MW348.43 g/mol
LogP4.32
Rot. Bonds3

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

(5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18973244) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18973244
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name(5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(Cn2ccc3c(/C=C4\SC(=O)NC4=O)cccc32)c1
InChIInChI=1S/C20H16N2O2S/c1-13-4-2-5-14(10-13)12-22-9-8-16-15(6-3-7-17(16)22)11-18-19(23)21-20(24)25-18/h2-11H,12H2,1H3,(H,21,23,24)/b18-11-
InChIKeyQSGKKAHSTUQEOO-WQRHYEAKSA-N
XLogP4.32
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 ≤ 54.32
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-(3-phenylpropyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973409
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-[[2,4-bis(trifluoromethyl)phenyl]methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973349
3-[[4-[(2,5-dioxo-1,3-thiazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzonitrile
CID 67698636
(5Z)-5-[[1-(2-phenyl-2-phenylmethoxyethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973288
4-[[1-[(4-fluorophenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,5-dione
CID 67698980
4-[[1-[(3-methylphenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 18973576
(5Z)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634014
(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973426
(5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973286
(5Z)-5-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126243315

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 18973244) is (5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1cccc(Cn2ccc3c(/C=C4\SC(=O)NC4=O)cccc32)c1.
What is the InChIKey of (5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QSGKKAHSTUQEOO-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-4-2-5-14(10-13)12-22-9-8-16-15(6-3-7-17(16)22)11-18-19(23)21-20(24)25-18/h2-11H,12H2,1H3,(H,21,23,24)/b18-11-.
What are the key properties of (5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 348.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18973244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).