1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide

C20H20N4O3S — CID 25459482

About 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 25459482) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
• PubChem CID: 25459482
• Molecular Formula: C20H20N4O3S
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.13
• IUPAC Name: 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
• SMILES: Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)c2)s1
• InChI: InChI=1S/C20H20N4O3S/c1-13-22-23-19(28-13)15-4-2-5-16(12-15)21-18(25)14-7-9-24(10-8-14)20(26)17-6-3-11-27-17/h2-6,11-12,14H,7-10H2,1H3,(H,21,25)
• InChIKey: FVWSLSJNQATLJV-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide (CID 25459482) is 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide is Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)c2)s1.

What is the InChIKey of 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide?

The InChIKey is FVWSLSJNQATLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13-22-23-19(28-13)15-4-2-5-16(12-15)21-18(25)14-7-9-24(10-8-14)20(26)17-6-3-11-27-17/h2-6,11-12,14H,7-10H2,1H3,(H,21,25).

What are the key properties of 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide?

1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 25459482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).