4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine

C25H19Cl4N3O2S — CID 6238710

About 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 6238710) has the molecular formula C25H19Cl4N3O2S and a molecular weight of 567.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine
• PubChem CID: 6238710
• Molecular Formula: C25H19Cl4N3O2S
• Molecular Weight: 567.33 g/mol
• Exact Mass: 565.00
• IUPAC Name: 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine
• SMILES: CCOc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C25H19Cl4N3O2S/c1-2-33-24-10-15(4-8-23(24)34-13-16-3-7-19(27)21(29)9-16)12-30-32-25-31-22(14-35-25)18-6-5-17(26)11-20(18)28/h3-12,14H,2,13H2,1H3,(H,31,32)/b30-12-
• InChIKey: OXGFGOMICABOAL-FTCYSYDXSA-N
• XLogP: 8.85
• TPSA: 55.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.33
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine?

The IUPAC name of 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine (CID 6238710) is 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine is CCOc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(Cl)c(Cl)c1.

What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine?

The InChIKey is OXGFGOMICABOAL-FTCYSYDXSA-N. The full InChI is InChI=1S/C25H19Cl4N3O2S/c1-2-33-24-10-15(4-8-23(24)34-13-16-3-7-19(27)21(29)9-16)12-30-32-25-31-22(14-35-25)18-6-5-17(26)11-20(18)28/h3-12,14H,2,13H2,1H3,(H,31,32)/b30-12-.

What are the key properties of 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine?

4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 567.33 g/mol, XLogP of 8.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6238710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).