2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide

C24H24N4O2S — CID 166630923

IUPAC2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide
SMILESCN(C(=O)CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)c1ccncc1
InChIInChI=1S/C24H24N4O2S/c1-27(19-6-10-25-11-7-19)23(29)15-28-12-8-17(9-13-28)24-26-20(16-31-24)22-14-18-4-2-3-5-21(18)30-22/h2-7,10-11,14,16-17H,8-9,12-13,15H2,1H3
InChIKeyXSMGPLOVOVAWPC-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.79
Rot. Bonds5

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

2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide (PubChem CID 166630923) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide
PubChem CID166630923
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide
SMILESCN(C(=O)CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)c1ccncc1
InChIInChI=1S/C24H24N4O2S/c1-27(19-6-10-25-11-7-19)23(29)15-28-12-8-17(9-13-28)24-26-20(16-31-24)22-14-18-4-2-3-5-21(18)30-22/h2-7,10-11,14,16-17H,8-9,12-13,15H2,1H3
InChIKeyXSMGPLOVOVAWPC-UHFFFAOYSA-N
XLogP4.79
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methyl-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide (CID 166630923) is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide is CN(C(=O)CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)c1ccncc1.
What is the InChIKey of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide?
The InChIKey is XSMGPLOVOVAWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-27(19-6-10-25-11-7-19)23(29)15-28-12-8-17(9-13-28)24-26-20(16-31-24)22-14-18-4-2-3-5-21(18)30-22/h2-7,10-11,14,16-17H,8-9,12-13,15H2,1H3.
What are the key properties of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide?
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide has a molecular weight of 432.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-methyl-N-pyridin-4-ylacetamide is sourced from PubChem (CID 166630923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).