2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide

C25H21N3O3S — CID 108770444

About 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide

2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 108770444) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
• PubChem CID: 108770444
• Molecular Formula: C25H21N3O3S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.13
• IUPAC Name: 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
• SMILES: C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2csc(-c3ccccn3)n2)c1
• InChI: InChI=1S/C25H21N3O3S/c1-2-14-30-22-11-3-4-12-23(22)31-16-24(29)27-19-9-7-8-18(15-19)21-17-32-25(28-21)20-10-5-6-13-26-20/h2-13,15,17H,1,14,16H2,(H,27,29)
• InChIKey: HBWMJNWEZVGXHX-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?

The IUPAC name of 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 108770444) is 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide.

What is the SMILES notation for 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?

The canonical SMILES for 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide is C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2csc(-c3ccccn3)n2)c1.

What is the InChIKey of 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?

The InChIKey is HBWMJNWEZVGXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-2-14-30-22-11-3-4-12-23(22)31-16-24(29)27-19-9-7-8-18(15-19)21-17-32-25(28-21)20-10-5-6-13-26-20/h2-13,15,17H,1,14,16H2,(H,27,29).

What are the key properties of 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?

2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 108770444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).