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

C19H25FN4OS — CID 7283455

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

(3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 7283455) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is (3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
• PubChem CID: 7283455
• Molecular Formula: C19H25FN4OS
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.17
• IUPAC Name: (3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
• SMILES: CC(C)CNC(=O)[C@H]1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1
• InChI: InChI=1S/C19H25FN4OS/c1-13(2)11-21-18(25)15-4-3-9-24(12-15)19-22-17(23-26-19)10-14-5-7-16(20)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,21,25)/t15-/m0/s1
• InChIKey: LQDZVWXJVIUUMJ-HNNXBMFYSA-N
• XLogP: 3.26
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide (CID 7283455) is (3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CNC(=O)[C@H]1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1.

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

The InChIKey is LQDZVWXJVIUUMJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c1-13(2)11-21-18(25)15-4-3-9-24(12-15)19-22-17(23-26-19)10-14-5-7-16(20)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,21,25)/t15-/m0/s1.

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

(3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 7283455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).