1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide

C19H26N4O2S — CID 4285488

About 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 4285488) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
• PubChem CID: 4285488
• Molecular Formula: C19H26N4O2S
• Molecular Weight: 374.51 g/mol
• Exact Mass: 374.18
• IUPAC Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
• SMILES: COc1cccc(Cc2nsc(N3CCCC(C(=O)NC(C)C)C3)n2)c1
• InChI: InChI=1S/C19H26N4O2S/c1-13(2)20-18(24)15-7-5-9-23(12-15)19-21-17(22-26-19)11-14-6-4-8-16(10-14)25-3/h4,6,8,10,13,15H,5,7,9,11-12H2,1-3H3,(H,20,24)
• InChIKey: JPUZXRCRNQQCQZ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide?

The IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide (CID 4285488) is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide?

The canonical SMILES for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide is COc1cccc(Cc2nsc(N3CCCC(C(=O)NC(C)C)C3)n2)c1.

What is the InChIKey of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide?

The InChIKey is JPUZXRCRNQQCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13(2)20-18(24)15-7-5-9-23(12-15)19-21-17(22-26-19)11-14-6-4-8-16(10-14)25-3/h4,6,8,10,13,15H,5,7,9,11-12H2,1-3H3,(H,20,24).

What are the key properties of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide?

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 4285488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).