4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine

C24H24N2O2S — CID 2454032

About 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine

4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine (PubChem CID 2454032) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
• PubChem CID: 2454032
• Molecular Formula: C24H24N2O2S
• Molecular Weight: 404.54 g/mol
• Exact Mass: 404.16
• IUPAC Name: 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
• SMILES: CCc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@H]2CCCO2)cc1
• InChI: InChI=1S/C24H24N2O2S/c1-2-17-9-11-19(12-10-17)25-24-26(15-20-7-5-13-27-20)21(16-29-24)23-14-18-6-3-4-8-22(18)28-23/h3-4,6,8-12,14,16,20H,2,5,7,13,15H2,1H3/b25-24-/t20-/m1/s1
• InChIKey: RRUWYRRYPLXAJD-CPSPCKPPSA-N
• XLogP: 5.94
• TPSA: 39.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.54
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine?

The IUPAC name of 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine (CID 2454032) is 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine.

What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine?

The canonical SMILES for 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine is CCc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@H]2CCCO2)cc1.

What is the InChIKey of 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine?

The InChIKey is RRUWYRRYPLXAJD-CPSPCKPPSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-2-17-9-11-19(12-10-17)25-24-26(15-20-7-5-13-27-20)21(16-29-24)23-14-18-6-3-4-8-22(18)28-23/h3-4,6,8-12,14,16,20H,2,5,7,13,15H2,1H3/b25-24-/t20-/m1/s1.

What are the key properties of 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine?

4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine has a molecular weight of 404.54 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 2454032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).