N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C26H24FN3O2S — CID 35272165

About N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 35272165) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• PubChem CID: 35272165
• Molecular Formula: C26H24FN3O2S
• Molecular Weight: 461.56 g/mol
• Exact Mass: 461.16
• IUPAC Name: N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• SMILES: Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(-c3ccccc3-c3ccc(F)cc3)s2)c1
• InChI: InChI=1S/C26H24FN3O2S/c1-16(2)20-13-8-17(3)14-23(20)32-15-24(31)28-26-30-29-25(33-26)22-7-5-4-6-21(22)18-9-11-19(27)12-10-18/h4-14,16H,15H2,1-3H3,(H,28,30,31)
• InChIKey: UETYLZYYAKWNNK-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.56
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 35272165) is N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(-c3ccccc3-c3ccc(F)cc3)s2)c1.

What is the InChIKey of N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The InChIKey is UETYLZYYAKWNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c1-16(2)20-13-8-17(3)14-23(20)32-15-24(31)28-26-30-29-25(33-26)22-7-5-4-6-21(22)18-9-11-19(27)12-10-18/h4-14,16H,15H2,1-3H3,(H,28,30,31).

What are the key properties of N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 461.56 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 35272165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).