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

C23H22N4O2S — CID 166626633

IUPAC2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1ccncc1
InChIInChI=1S/C23H22N4O2S/c28-22(25-18-5-9-24-10-6-18)14-27-11-7-16(8-12-27)23-26-19(15-30-23)21-13-17-3-1-2-4-20(17)29-21/h1-6,9-10,13,15-16H,7-8,11-12,14H2,(H,24,25,28)
InChIKeyWHPJDAJDJKWBPF-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.77
Rot. Bonds5

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

2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide (PubChem CID 166626633) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide
PubChem CID166626633
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1ccncc1
InChIInChI=1S/C23H22N4O2S/c28-22(25-18-5-9-24-10-6-18)14-27-11-7-16(8-12-27)23-26-19(15-30-23)21-13-17-3-1-2-4-20(17)29-21/h1-6,9-10,13,15-16H,7-8,11-12,14H2,(H,24,25,28)
InChIKeyWHPJDAJDJKWBPF-UHFFFAOYSA-N
XLogP4.77
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
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-pyridin-4-ylacetamide?
The IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide (CID 166626633) is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-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-pyridin-4-ylacetamide?
The canonical SMILES for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide is O=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1ccncc1.
What is the InChIKey of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide?
The InChIKey is WHPJDAJDJKWBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-22(25-18-5-9-24-10-6-18)14-27-11-7-16(8-12-27)23-26-19(15-30-23)21-13-17-3-1-2-4-20(17)29-21/h1-6,9-10,13,15-16H,7-8,11-12,14H2,(H,24,25,28).
What are the key properties of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide?
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide has a molecular weight of 418.52 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 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-pyridin-4-ylacetamide is sourced from PubChem (CID 166626633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).