Molecule card · MolClass #2392
2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazoleCompound accumulation in C. elegans · compound_name
- MolClass ID
- 2392
- InChIKey
- SOJUDQIQZPAFPF-INIZCTEOSA-N
- Canonical SMILES
- CCOc1ccc(cc1)C3NN=C(c2ccccc2)S3
- Standard InChI
- InChI=1S/C16H16N2OS/c1-2-19-14-10-8-13(9-11-14)16-18-17-15(20-16)12-6-4-3-5-7-12/h3-11,16,18H,2H2,1H3/t16-/m0/s1
- Stored Murcko scaffold
- N=1NC(SC1c2ccccc2)c3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.819
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Compound accumulation in C. elegans
Dataset #4 · 16.213073062814