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

C20H15N5O2S — CID 18973426

IUPAC(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILES[N-]=[N+]=NC(Cn1ccc2c(/C=C3\SC(=O)NC3=O)cccc21)c1ccccc1
InChIInChI=1S/C20H15N5O2S/c21-24-23-16(13-5-2-1-3-6-13)12-25-10-9-15-14(7-4-8-17(15)25)11-18-19(26)22-20(27)28-18/h1-11,16H,12H2,(H,22,26,27)/b18-11-
InChIKeyLCUINQYZZAXALA-WQRHYEAKSA-N
MW389.44 g/mol
LogP5.02
Rot. Bonds5

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

(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18973426) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18973426
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC Name(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILES[N-]=[N+]=NC(Cn1ccc2c(/C=C3\SC(=O)NC3=O)cccc21)c1ccccc1
InChIInChI=1S/C20H15N5O2S/c21-24-23-16(13-5-2-1-3-6-13)12-25-10-9-15-14(7-4-8-17(15)25)11-18-19(26)22-20(27)28-18/h1-11,16H,12H2,(H,22,26,27)/b18-11-
InChIKeyLCUINQYZZAXALA-WQRHYEAKSA-N
XLogP5.02
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 18973426) is (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is [N-]=[N+]=NC(Cn1ccc2c(/C=C3\SC(=O)NC3=O)cccc21)c1ccccc1.
What is the InChIKey of (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LCUINQYZZAXALA-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H15N5O2S/c21-24-23-16(13-5-2-1-3-6-13)12-25-10-9-15-14(7-4-8-17(15)25)11-18-19(26)22-20(27)28-18/h1-11,16H,12H2,(H,22,26,27)/b18-11-.
What are the key properties of (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 389.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18973426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).