3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide

C26H25N3O4S — CID 30798544

About 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide

3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 30798544) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
• PubChem CID: 30798544
• Molecular Formula: C26H25N3O4S
• Molecular Weight: 475.57 g/mol
• Exact Mass: 475.16
• IUPAC Name: 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
• SMILES: CCOc1cc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccncc1
• InChI: InChI=1S/C26H25N3O4S/c1-4-32-24-14-19(6-8-23(24)33-15-18-9-11-27-12-10-18)25(30)29-26-28-21(16-34-26)20-13-17(2)5-7-22(20)31-3/h5-14,16H,4,15H2,1-3H3,(H,28,29,30)
• InChIKey: PWNKGHCDKZZSKA-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.57
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide?

The IUPAC name of 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide (CID 30798544) is 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide.

What is the SMILES notation for 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide?

The canonical SMILES for 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccncc1.

What is the InChIKey of 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide?

The InChIKey is PWNKGHCDKZZSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-4-32-24-14-19(6-8-23(24)33-15-18-9-11-27-12-10-18)25(30)29-26-28-21(16-34-26)20-13-17(2)5-7-22(20)31-3/h5-14,16H,4,15H2,1-3H3,(H,28,29,30).

What are the key properties of 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide?

3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 475.57 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 30798544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).