3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide

C23H20N4O4S — CID 75395390

About 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide

3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 75395390) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
• PubChem CID: 75395390
• Molecular Formula: C23H20N4O4S
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.12
• IUPAC Name: 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
• SMILES: CCOc1cc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)ccc1OCc1ccncc1
• InChI: InChI=1S/C23H20N4O4S/c1-2-29-20-14-17(5-7-19(20)31-15-16-9-11-24-12-10-16)22(28)25-23-27-26-21(32-23)8-6-18-4-3-13-30-18/h3-14H,2,15H2,1H3,(H,25,27,28)/b8-6+
• InChIKey: OZOTZPRACMWPRR-SOFGYWHQSA-N
• XLogP: 4.93
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide?

The IUPAC name of 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide (CID 75395390) is 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide.

What is the SMILES notation for 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide?

The canonical SMILES for 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)ccc1OCc1ccncc1.

What is the InChIKey of 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide?

The InChIKey is OZOTZPRACMWPRR-SOFGYWHQSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-2-29-20-14-17(5-7-19(20)31-15-16-9-11-24-12-10-16)22(28)25-23-27-26-21(32-23)8-6-18-4-3-13-30-18/h3-14H,2,15H2,1H3,(H,25,27,28)/b8-6+.

What are the key properties of 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide?

3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 448.50 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 75395390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).