N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

C24H24N4O5S — CID 50816286

About N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50816286) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 50816286
• Molecular Formula: C24H24N4O5S
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.15
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: CCOc1ccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1
• InChI: InChI=1S/C24H24N4O5S/c1-2-31-18-6-3-16(4-7-18)24(30)28-11-9-15(10-12-28)22-26-27-23(34-22)21(29)25-17-5-8-19-20(13-17)33-14-32-19/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,29)
• InChIKey: DGXXHSNJANAJNJ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide (CID 50816286) is N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide is CCOc1ccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is DGXXHSNJANAJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-2-31-18-6-3-16(4-7-18)24(30)28-11-9-15(10-12-28)22-26-27-23(34-22)21(29)25-17-5-8-19-20(13-17)33-14-32-19/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,29).

What are the key properties of N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?

N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50816286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).