2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide

C23H20N4O2S — CID 5024625

About 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide

2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 5024625) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 5024625
• Molecular Formula: C23H20N4O2S
• Molecular Weight: 416.51 g/mol
• Exact Mass: 416.13
• IUPAC Name: 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: O=C(Cc1ccc(Oc2nc(Cc3ccccc3)ns2)cc1)NCc1ccccn1
• InChI: InChI=1S/C23H20N4O2S/c28-22(25-16-19-8-4-5-13-24-19)15-18-9-11-20(12-10-18)29-23-26-21(27-30-23)14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)
• InChIKey: YUGLTYXRTPNDQT-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.51
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide (CID 5024625) is 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1ccc(Oc2nc(Cc3ccccc3)ns2)cc1)NCc1ccccn1.

What is the InChIKey of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is YUGLTYXRTPNDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-22(25-16-19-8-4-5-13-24-19)15-18-9-11-20(12-10-18)29-23-26-21(27-30-23)14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28).

What are the key properties of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide?

2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 416.51 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 5024625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).