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

C23H26N4O2S — CID 71456055

IUPACN-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C23H26N4O2S/c1-15(28)25-17-13-18-6-7-19(14-17)27(18)12-10-16-4-8-20(9-5-16)29-23-26-22-21(30-23)3-2-11-24-22/h2-5,8-9,11,17-19H,6-7,10,12-14H2,1H3,(H,25,28)
InChIKeyKVRXDZGSMIJSDR-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.16
Rot. Bonds6

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

N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 71456055) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]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)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID71456055
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C23H26N4O2S/c1-15(28)25-17-13-18-6-7-19(14-17)27(18)12-10-16-4-8-20(9-5-16)29-23-26-22-21(30-23)3-2-11-24-22/h2-5,8-9,11,17-19H,6-7,10,12-14H2,1H3,(H,25,28)
InChIKeyKVRXDZGSMIJSDR-UHFFFAOYSA-N
XLogP4.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]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)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 71456055) is N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]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)phenyl]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)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1.
What is the InChIKey of N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is KVRXDZGSMIJSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15(28)25-17-13-18-6-7-19(14-17)27(18)12-10-16-4-8-20(9-5-16)29-23-26-22-21(30-23)3-2-11-24-22/h2-5,8-9,11,17-19H,6-7,10,12-14H2,1H3,(H,25,28).
What are the key properties of N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 71456055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).