N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide

C23H22N4O3S — CID 59577678

IUPACN-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide
SMILESCC(=O)N[C@H]1CC2CC1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C23H22N4O3S/c1-13(28)25-19-8-16-7-14(19)10-27(16)11-15-12-29-20-9-17(4-5-18(15)20)30-23-26-22-21(31-23)3-2-6-24-22/h2-6,9,12,14,16,19H,7-8,10-11H2,1H3,(H,25,28)/t14?,16?,19-/m0/s1
InChIKeyRSYRUCVDKWEHRC-KJXMEXGPSA-N
MW434.52 g/mol
LogP4.33
Rot. Bonds5

About N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide

N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide (PubChem CID 59577678) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide.

Molecular Properties

Compound NameN-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide
PubChem CID59577678
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide
SMILESCC(=O)N[C@H]1CC2CC1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C23H22N4O3S/c1-13(28)25-19-8-16-7-14(19)10-27(16)11-15-12-29-20-9-17(4-5-18(15)20)30-23-26-22-21(31-23)3-2-6-24-22/h2-6,9,12,14,16,19H,7-8,10-11H2,1H3,(H,25,28)/t14?,16?,19-/m0/s1
InChIKeyRSYRUCVDKWEHRC-KJXMEXGPSA-N
XLogP4.33
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide?
The IUPAC name of N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide (CID 59577678) is N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide.
What is the SMILES notation for N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide?
The canonical SMILES for N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide is CC(=O)N[C@H]1CC2CC1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12.
What is the InChIKey of N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide?
The InChIKey is RSYRUCVDKWEHRC-KJXMEXGPSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-13(28)25-19-8-16-7-14(19)10-27(16)11-15-12-29-20-9-17(4-5-18(15)20)30-23-26-22-21(31-23)3-2-6-24-22/h2-6,9,12,14,16,19H,7-8,10-11H2,1H3,(H,25,28)/t14?,16?,19-/m0/s1.
What are the key properties of N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide?
N-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide has a molecular weight of 434.52 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-[(5S)-2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide is sourced from PubChem (CID 59577678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).