4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine

C24H25N3O3S — CID 23912014

About 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine

4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 23912014) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
• PubChem CID: 23912014
• Molecular Formula: C24H25N3O3S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.16
• IUPAC Name: 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
• SMILES: CCOc1ccc(C=Nn2c(-c3cc4ccccc4o3)cs/c2=N\C(C)C)cc1OC
• InChI: InChI=1S/C24H25N3O3S/c1-5-29-21-11-10-17(12-23(21)28-4)14-25-27-19(15-31-24(27)26-16(2)3)22-13-18-8-6-7-9-20(18)30-22/h6-16H,5H2,1-4H3/b25-14?,26-24-
• InChIKey: JZPOWWINOICKBI-RAOFYZFBSA-N
• XLogP: 5.56
• TPSA: 61.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?

The IUPAC name of 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine (CID 23912014) is 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine.

What is the SMILES notation for 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?

The canonical SMILES for 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine is CCOc1ccc(C=Nn2c(-c3cc4ccccc4o3)cs/c2=N\C(C)C)cc1OC.

What is the InChIKey of 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?

The InChIKey is JZPOWWINOICKBI-RAOFYZFBSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-5-29-21-11-10-17(12-23(21)28-4)14-25-27-19(15-31-24(27)26-16(2)3)22-13-18-8-6-7-9-20(18)30-22/h6-16H,5H2,1-4H3/b25-14?,26-24-.

What are the key properties of 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?

4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 435.55 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23912014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).