N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide

C22H22N4O3S — CID 59577386

IUPACN-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1
InChIInChI=1S/C22H22N4O3S/c1-14(27)24-16-6-9-26(10-7-16)12-15-13-28-19-11-17(4-5-18(15)19)29-22-25-21-20(30-22)3-2-8-23-21/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,24,27)
InChIKeyRTUNCRWULFXKRD-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.33
Rot. Bonds5

About N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 59577386) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID59577386
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1
InChIInChI=1S/C22H22N4O3S/c1-14(27)24-16-6-9-26(10-7-16)12-15-13-28-19-11-17(4-5-18(15)19)29-22-25-21-20(30-22)3-2-8-23-21/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,24,27)
InChIKeyRTUNCRWULFXKRD-UHFFFAOYSA-N
XLogP4.33
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide (CID 59577386) is N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1.
What is the InChIKey of N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is RTUNCRWULFXKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-14(27)24-16-6-9-26(10-7-16)12-15-13-28-19-11-17(4-5-18(15)19)29-22-25-21-20(30-22)3-2-8-23-21/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,24,27).
What are the key properties of N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 422.51 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 59577386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).