1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone

C22H18FN3O2S — CID 90491115

About 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone

1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90491115) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 90491115
• Molecular Formula: C22H18FN3O2S
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.11
• IUPAC Name: 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1cc2ccccc2o1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1
• InChI: InChI=1S/C22H18FN3O2S/c23-17-9-3-2-8-16(17)21-25-24-20(29-21)15-7-5-11-26(13-15)22(27)19-12-14-6-1-4-10-18(14)28-19/h1-4,6,8-10,12,15H,5,7,11,13H2
• InChIKey: ORIZAQYMCCIGMY-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (CID 90491115) is 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1.

What is the InChIKey of 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is ORIZAQYMCCIGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c23-17-9-3-2-8-16(17)21-25-24-20(29-21)15-7-5-11-26(13-15)22(27)19-12-14-6-1-4-10-18(14)28-19/h1-4,6,8-10,12,15H,5,7,11,13H2.

What are the key properties of 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?

1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 407.47 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90491115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).