2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

C25H21N3O2S — CID 24506084

About 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (PubChem CID 24506084) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
• PubChem CID: 24506084
• Molecular Formula: C25H21N3O2S
• Molecular Weight: 427.53 g/mol
• Exact Mass: 427.14
• IUPAC Name: 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
• SMILES: COc1ccc(-c2nc(CC(=O)Nc3cccc(/C=C/c4ccccn4)c3)cs2)cc1
• InChI: InChI=1S/C25H21N3O2S/c1-30-23-12-9-19(10-13-23)25-28-22(17-31-25)16-24(29)27-21-7-4-5-18(15-21)8-11-20-6-2-3-14-26-20/h2-15,17H,16H2,1H3,(H,27,29)/b11-8+
• InChIKey: VWNUPOZNGXFDKD-DHZHZOJOSA-N
• XLogP: 5.57
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.53
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (CID 24506084) is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.

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

The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3cccc(/C=C/c4ccccn4)c3)cs2)cc1.

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

The InChIKey is VWNUPOZNGXFDKD-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-30-23-12-9-19(10-13-23)25-28-22(17-31-25)16-24(29)27-21-7-4-5-18(15-21)8-11-20-6-2-3-14-26-20/h2-15,17H,16H2,1H3,(H,27,29)/b11-8+.

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

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide has a molecular weight of 427.53 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is sourced from PubChem (CID 24506084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).