(E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide

C23H24N2O3S — CID 108761118

About (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 108761118) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
• PubChem CID: 108761118
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.15
• IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
• SMILES: CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(OC)c(C)c3)c(C)s2)cc1
• InChI: InChI=1S/C23H24N2O3S/c1-5-28-19-10-6-17(7-11-19)8-13-21(26)24-23-25-22(16(3)29-23)18-9-12-20(27-4)15(2)14-18/h6-14H,5H2,1-4H3,(H,24,25,26)/b13-8+
• InChIKey: DTGVIBOZAHIXIY-MDWZMJQESA-N
• XLogP: 5.49
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide?

The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide (CID 108761118) is (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide.

What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide?

The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(OC)c(C)c3)c(C)s2)cc1.

What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide?

The InChIKey is DTGVIBOZAHIXIY-MDWZMJQESA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-5-28-19-10-6-17(7-11-19)8-13-21(26)24-23-25-22(16(3)29-23)18-9-12-20(27-4)15(2)14-18/h6-14H,5H2,1-4H3,(H,24,25,26)/b13-8+.

What are the key properties of (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide?

(E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 408.52 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 108761118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).