1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide

C20H27FN4OS — CID 4638004

About 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide

1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 4638004) has the molecular formula C20H27FN4OS and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
• PubChem CID: 4638004
• Molecular Formula: C20H27FN4OS
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.19
• IUPAC Name: 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
• SMILES: CC(C)CCNC(=O)C1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1
• InChI: InChI=1S/C20H27FN4OS/c1-14(2)9-10-22-19(26)16-4-3-11-25(13-16)20-23-18(24-27-20)12-15-5-7-17(21)8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,22,26)
• InChIKey: JHBNADVJANZNHS-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide (CID 4638004) is 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1.

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

The InChIKey is JHBNADVJANZNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4OS/c1-14(2)9-10-22-19(26)16-4-3-11-25(13-16)20-23-18(24-27-20)12-15-5-7-17(21)8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,22,26).

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

1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 4638004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).