3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide

C23H20N4O3S — CID 3903388

About 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide

3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 3903388) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide
• PubChem CID: 3903388
• Molecular Formula: C23H20N4O3S
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.13
• IUPAC Name: 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide
• SMILES: COc1cccc(Cc2nsc(Oc3cccc(C(=O)NCc4ccncc4)c3)n2)c1
• InChI: InChI=1S/C23H20N4O3S/c1-29-19-6-2-4-17(12-19)13-21-26-23(31-27-21)30-20-7-3-5-18(14-20)22(28)25-15-16-8-10-24-11-9-16/h2-12,14H,13,15H2,1H3,(H,25,28)
• InChIKey: MEUVBKROHLBUMB-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide (CID 3903388) is 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide.

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

The canonical SMILES for 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide is COc1cccc(Cc2nsc(Oc3cccc(C(=O)NCc4ccncc4)c3)n2)c1.

What is the InChIKey of 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide?

The InChIKey is MEUVBKROHLBUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-29-19-6-2-4-17(12-19)13-21-26-23(31-27-21)30-20-7-3-5-18(14-20)22(28)25-15-16-8-10-24-11-9-16/h2-12,14H,13,15H2,1H3,(H,25,28).

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

3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 432.51 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 3903388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).