1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone

C21H20N4O3S — CID 59577519

IUPAC1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc3cc(Oc4nc5ncccc5s4)ccc3o2)CC1
InChIInChI=1S/C21H20N4O3S/c1-14(26)25-9-7-24(8-10-25)13-17-12-15-11-16(4-5-18(15)27-17)28-21-23-20-19(29-21)3-2-6-22-20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyNKDRZQYFMNAMDY-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.89
Rot. Bonds4

About 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 59577519) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID59577519
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc3cc(Oc4nc5ncccc5s4)ccc3o2)CC1
InChIInChI=1S/C21H20N4O3S/c1-14(26)25-9-7-24(8-10-25)13-17-12-15-11-16(4-5-18(15)27-17)28-21-23-20-19(29-21)3-2-6-22-20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyNKDRZQYFMNAMDY-UHFFFAOYSA-N
XLogP3.89
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 59577411
1-[(1R,4R)-5-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]ethanone
CID 59577772
1-[3-methylidene-4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 89011452
1-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 59577548
3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine
CID 66787020
1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 59577471
1-[(1S,5R)-8-[[5-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 59577484
[2-oxo-1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperidin-4-yl]pyrrolidin-3-yl] formate
CID 140557083
5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 59577429
1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 59577552
2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577564
2-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577573

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone (CID 59577519) is 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cc3cc(Oc4nc5ncccc5s4)ccc3o2)CC1.
What is the InChIKey of 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is NKDRZQYFMNAMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-14(26)25-9-7-24(8-10-25)13-17-12-15-11-16(4-5-18(15)27-17)28-21-23-20-19(29-21)3-2-6-22-20/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 408.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59577519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).