Molecule card · MolClass #2398
N-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine
N-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine: 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
- N-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-amineCompound accumulation in C. elegans · compound_name
- MolClass ID
- 2398
- InChIKey
- CXODMWJRNQWJPF-UHFFFAOYSA-N
- Canonical SMILES
- Fc3ccccc3(Nc1nc(cs1)c2ccccc2)
- Standard InChI
- InChI=1S/C15H11FN2S/c16-12-8-4-5-9-13(12)17-15-18-14(10-19-15)11-6-2-1-3-7-11/h1-10H,(H,17,18)
- Stored Murcko scaffold
- n1c(scc1-c2ccccc2)Nc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.231
- 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 · 15.1850233758321