4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine

C26H26N4O4S — CID 23936246

About 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine

4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23936246) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
• PubChem CID: 23936246
• Molecular Formula: C26H26N4O4S
• Molecular Weight: 490.59 g/mol
• Exact Mass: 490.17
• IUPAC Name: 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
• SMILES: COc1ccc(OC)c(C(C)=Nn2c(-c3cc(OC)ccc3OC)cs/c2=N\c2cccnc2)c1
• InChI: InChI=1S/C26H26N4O4S/c1-17(21-13-19(31-2)8-10-24(21)33-4)29-30-23(22-14-20(32-3)9-11-25(22)34-5)16-35-26(30)28-18-7-6-12-27-15-18/h6-16H,1-5H3/b28-26-,29-17?
• InChIKey: UNLNADOZXLELMZ-KJXGIHTLSA-N
• XLogP: 5.15
• TPSA: 79.46 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.59
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?

The IUPAC name of 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23936246) is 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine.

What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?

The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine is COc1ccc(OC)c(C(C)=Nn2c(-c3cc(OC)ccc3OC)cs/c2=N\c2cccnc2)c1.

What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?

The InChIKey is UNLNADOZXLELMZ-KJXGIHTLSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-17(21-13-19(31-2)8-10-24(21)33-4)29-30-23(22-14-20(32-3)9-11-25(22)34-5)16-35-26(30)28-18-7-6-12-27-15-18/h6-16H,1-5H3/b28-26-,29-17?.

What are the key properties of 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine?

4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 490.59 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23936246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).