2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C20H20FN5OS — CID 95818834

About 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95818834) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 95818834
• Molecular Formula: C20H20FN5OS
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.14
• IUPAC Name: 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(CN1CCC[C@H](c2nccnc2-c2ccccc2F)C1)Nc1nccs1
• InChI: InChI=1S/C20H20FN5OS/c21-16-6-2-1-5-15(16)19-18(22-7-8-23-19)14-4-3-10-26(12-14)13-17(27)25-20-24-9-11-28-20/h1-2,5-9,11,14H,3-4,10,12-13H2,(H,24,25,27)/t14-/m0/s1
• InChIKey: ONCHKSDPNWRABW-AWEZNQCLSA-N
• XLogP: 3.56
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 95818834) is 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCC[C@H](c2nccnc2-c2ccccc2F)C1)Nc1nccs1.

What is the InChIKey of 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is ONCHKSDPNWRABW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN5OS/c21-16-6-2-1-5-15(16)19-18(22-7-8-23-19)14-4-3-10-26(12-14)13-17(27)25-20-24-9-11-28-20/h1-2,5-9,11,14H,3-4,10,12-13H2,(H,24,25,27)/t14-/m0/s1.

What are the key properties of 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95818834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).