2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide

C24H29N5O3S — CID 66875154

IUPAC2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide
SMILESCc1ccnc2nc(Oc3ccc(OCCN4[C@@H]5CC[C@H]4CC(NCC(N)=O)C5)cc3)sc12
InChIInChI=1S/C24H29N5O3S/c1-15-8-9-26-23-22(15)33-24(28-23)32-20-6-4-19(5-7-20)31-11-10-29-17-2-3-18(29)13-16(12-17)27-14-21(25)30/h4-9,16-18,27H,2-3,10-14H2,1H3,(H2,25,30)/t16?,17-,18+
InChIKeyFRYSUPJZSPWVCR-AYHJJNSGSA-N
MW467.60 g/mol
LogP3.24
Rot. Bonds9

About 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide

2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide (PubChem CID 66875154) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide
PubChem CID66875154
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide
SMILESCc1ccnc2nc(Oc3ccc(OCCN4[C@@H]5CC[C@H]4CC(NCC(N)=O)C5)cc3)sc12
InChIInChI=1S/C24H29N5O3S/c1-15-8-9-26-23-22(15)33-24(28-23)32-20-6-4-19(5-7-20)31-11-10-29-17-2-3-18(29)13-16(12-17)27-14-21(25)30/h4-9,16-18,27H,2-3,10-14H2,1H3,(H2,25,30)/t16?,17-,18+
InChIKeyFRYSUPJZSPWVCR-AYHJJNSGSA-N
XLogP3.24
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide?
The IUPAC name of 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide (CID 66875154) is 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide.
What is the SMILES notation for 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide?
The canonical SMILES for 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide is Cc1ccnc2nc(Oc3ccc(OCCN4[C@@H]5CC[C@H]4CC(NCC(N)=O)C5)cc3)sc12.
What is the InChIKey of 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide?
The InChIKey is FRYSUPJZSPWVCR-AYHJJNSGSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-15-8-9-26-23-22(15)33-24(28-23)32-20-6-4-19(5-7-20)31-11-10-29-17-2-3-18(29)13-16(12-17)27-14-21(25)30/h4-9,16-18,27H,2-3,10-14H2,1H3,(H2,25,30)/t16?,17-,18+.
What are the key properties of 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide?
2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide has a molecular weight of 467.60 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5S)-8-[2-[4-[(7-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]acetamide is sourced from PubChem (CID 66875154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).