5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

C23H24N4O3S — CID 94088518

About 5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 94088518) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 94088518
• Molecular Formula: C23H24N4O3S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.16
• IUPAC Name: 5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
• SMILES: COc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1
• InChI: InChI=1S/C23H24N4O3S/c1-15-9-11-17(12-10-15)24-20(28)22-26-25-21(31-22)16-6-5-13-27(14-16)23(29)18-7-3-4-8-19(18)30-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,24,28)/t16-/m0/s1
• InChIKey: DHVZMBIZXKSMAY-INIZCTEOSA-N
• XLogP: 4.13
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 94088518) is 5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

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

The canonical SMILES for 5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is COc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1.

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

The InChIKey is DHVZMBIZXKSMAY-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15-9-11-17(12-10-15)24-20(28)22-26-25-21(31-22)16-6-5-13-27(14-16)23(29)18-7-3-4-8-19(18)30-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,24,28)/t16-/m0/s1.

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

5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 94088518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).