N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C23H26N4O3S — CID 71461487

IUPACN-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCC(C1)N2CCOc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C23H26N4O3S/c1-15(28)25-16-13-17-4-5-18(14-16)27(17)11-12-29-19-6-8-20(9-7-19)30-23-26-22-21(31-23)3-2-10-24-22/h2-3,6-10,16-18H,4-5,11-14H2,1H3,(H,25,28)
InChIKeyXBQCNPXYQLNNGX-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.99
Rot. Bonds7

About N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 71461487) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID71461487
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCC(C1)N2CCOc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C23H26N4O3S/c1-15(28)25-16-13-17-4-5-18(14-16)27(17)11-12-29-19-6-8-20(9-7-19)30-23-26-22-21(31-23)3-2-10-24-22/h2-3,6-10,16-18H,4-5,11-14H2,1H3,(H,25,28)
InChIKeyXBQCNPXYQLNNGX-UHFFFAOYSA-N
XLogP3.99
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-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-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 71461487) is N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CC(=O)NC1CC2CCC(C1)N2CCOc1ccc(Oc2nc3ncccc3s2)cc1.
What is the InChIKey of N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is XBQCNPXYQLNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15(28)25-16-13-17-4-5-18(14-16)27(17)11-12-29-19-6-8-20(9-7-19)30-23-26-22-21(31-23)3-2-10-24-22/h2-3,6-10,16-18H,4-5,11-14H2,1H3,(H,25,28).
What are the key properties of N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 71461487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).