N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide

C27H26FN3O2S — CID 26354544

About N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide

N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 26354544) has the molecular formula C27H26FN3O2S and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
• PubChem CID: 26354544
• Molecular Formula: C27H26FN3O2S
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.17
• IUPAC Name: N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
• SMILES: Cc1nc(CC(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cs1
• InChI: InChI=1S/C27H26FN3O2S/c1-20-30-25(19-34-20)16-27(32)31(17-22-9-12-29-13-10-22)18-23-3-2-4-26(15-23)33-14-11-21-5-7-24(28)8-6-21/h2-10,12-13,15,19H,11,14,16-18H2,1H3
• InChIKey: JZDVINIEDKTVOK-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide?

The IUPAC name of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 26354544) is N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide.

What is the SMILES notation for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide?

The canonical SMILES for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide is Cc1nc(CC(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cs1.

What is the InChIKey of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide?

The InChIKey is JZDVINIEDKTVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2S/c1-20-30-25(19-34-20)16-27(32)31(17-22-9-12-29-13-10-22)18-23-3-2-4-26(15-23)33-14-11-21-5-7-24(28)8-6-21/h2-10,12-13,15,19H,11,14,16-18H2,1H3.

What are the key properties of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide?

N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 475.59 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 26354544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).