2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone

C₁₈H₁₇FN₂OS₂ — CID 159657618

About 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone

2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone (PubChem CID 159657618) has the molecular formula C₁₈H₁₇FN₂OS₂ and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
• PubChem CID: 159657618
• Molecular Formula: C₁₈H₁₇FN₂OS₂
• Molecular Weight: 360.48 g/mol
• Exact Mass: 360.08
• IUPAC Name: 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
• SMILES: O=C(Cc1ccc(F)cc1)c1cc2nc(N3CCCCC3)sc2s1
• InChI: InChI=1S/C18H17FN2OS2/c19-13-6-4-12(5-7-13)10-15(22)16-11-14-17(23-16)24-18(20-14)21-8-2-1-3-9-21/h4-7,11H,1-3,8-10H2
• InChIKey: MSJKODCCBOTOBA-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 33.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.48
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?

The IUPAC name of 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone (CID 159657618) is 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone.

What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?

The canonical SMILES for 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone is O=C(Cc1ccc(F)cc1)c1cc2nc(N3CCCCC3)sc2s1.

What is the InChIKey of 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?

The InChIKey is MSJKODCCBOTOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS2/c19-13-6-4-12(5-7-13)10-15(22)16-11-14-17(23-16)24-18(20-14)21-8-2-1-3-9-21/h4-7,11H,1-3,8-10H2.

What are the key properties of 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?

2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 360.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 159657618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159657618 — identifiers, structure, computed properties (public domain)

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