(5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

C21H18N2O2S — CID 126140767

IUPAC(5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3ccccc3)c12
InChIInChI=1S/C21H18N2O2S/c1-2-15-9-6-10-17-16(11-18-20(24)22-21(25)26-18)13-23(19(15)17)12-14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3,(H,22,24,25)/b18-11-
InChIKeyTWMYFHCELKSSLE-WQRHYEAKSA-N
MW362.45 g/mol
LogP4.58
Rot. Bonds4

About (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126140767) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126140767
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name(5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3ccccc3)c12
InChIInChI=1S/C21H18N2O2S/c1-2-15-9-6-10-17-16(11-18-20(24)22-21(25)26-18)13-23(19(15)17)12-14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3,(H,22,24,25)/b18-11-
InChIKeyTWMYFHCELKSSLE-WQRHYEAKSA-N
XLogP4.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.58
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'}

Analyze (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-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

(5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126152638
(5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
CID 126135673
(5Z)-5-[[7-ethyl-1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126132002
(5Z)-3-benzyl-5-[[1-[(3,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126145138
(5Z)-3-[(2-chlorophenyl)methyl]-5-[[7-ethyl-1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126153283
5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73473983
(5Z)-3-(4-chlorophenyl)-5-[[1-[(4-chlorophenyl)methyl]-7-ethylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126136630
(5Z)-5-[[1-[(4-chlorophenyl)methyl]-7-ethylindol-3-yl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126155124
(5Z)-5-[[1-[(4-bromophenyl)methyl]-7-ethylindol-3-yl]methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 126143476
(5Z)-5-[[1-[(4-bromophenyl)methyl]-7-ethylindol-3-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126151304
(5Z)-5-[[1-[(3,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126139019
(5Z)-3-[(4-bromophenyl)methyl]-5-[[7-ethyl-1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126143217

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 126140767) is (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3ccccc3)c12.
What is the InChIKey of (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is TWMYFHCELKSSLE-WQRHYEAKSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-2-15-9-6-10-17-16(11-18-20(24)22-21(25)26-18)13-23(19(15)17)12-14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3,(H,22,24,25)/b18-11-.
What are the key properties of (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 362.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126140767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).