2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide

C24H23N3O2S — CID 166633433

IUPAC2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1ccccc1
InChIInChI=1S/C24H23N3O2S/c28-23(25-19-7-2-1-3-8-19)15-27-12-10-17(11-13-27)24-26-20(16-30-24)22-14-18-6-4-5-9-21(18)29-22/h1-9,14,16-17H,10-13,15H2,(H,25,28)
InChIKeyFBBOXIRFMDURRG-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.37
Rot. Bonds5

About 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide

2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide (PubChem CID 166633433) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide
PubChem CID166633433
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1ccccc1
InChIInChI=1S/C24H23N3O2S/c28-23(25-19-7-2-1-3-8-19)15-27-12-10-17(11-13-27)24-26-20(16-30-24)22-14-18-6-4-5-9-21(18)29-22/h1-9,14,16-17H,10-13,15H2,(H,25,28)
InChIKeyFBBOXIRFMDURRG-UHFFFAOYSA-N
XLogP5.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide (CID 166633433) is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is FBBOXIRFMDURRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c28-23(25-19-7-2-1-3-8-19)15-27-12-10-17(11-13-27)24-26-20(16-30-24)22-14-18-6-4-5-9-21(18)29-22/h1-9,14,16-17H,10-13,15H2,(H,25,28).
What are the key properties of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide?
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 417.53 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 166633433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).