N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C24H26FN3O3S — CID 143800693

IUPACN-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1CC2CC[C@@H](C1)N2CCOc1ccc(Oc2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C24H26FN3O3S/c1-15(29)26-17-13-18-3-4-19(14-17)28(18)10-11-30-20-5-7-21(8-6-20)31-24-27-22-9-2-16(25)12-23(22)32-24/h2,5-9,12,17-19H,3-4,10-11,13-14H2,1H3,(H,26,29)/t17?,18-,19?/m0/s1
InChIKeyZTAKGWCRYPEODM-XBMUEBEBSA-N
MW455.56 g/mol
LogP4.74
Rot. Bonds7

About N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 143800693) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID143800693
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC NameN-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1CC2CC[C@@H](C1)N2CCOc1ccc(Oc2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C24H26FN3O3S/c1-15(29)26-17-13-18-3-4-19(14-17)28(18)10-11-30-20-5-7-21(8-6-20)31-24-27-22-9-2-16(25)12-23(22)32-24/h2,5-9,12,17-19H,3-4,10-11,13-14H2,1H3,(H,26,29)/t17?,18-,19?/m0/s1
InChIKeyZTAKGWCRYPEODM-XBMUEBEBSA-N
XLogP4.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide with MolForge

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Related Compounds

5-fluoro-2-[4-[2-[(1R,5S)-3-(sulfinamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]ethoxy]phenoxy]-1,3-benzothiazole
CID 58488138
(1R,5R)-N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]methyl]-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54575539
1-[(1R,4R)-5-[2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 67206995
N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 59577464
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
N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide
CID 11248476
2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 135312387
N-[(1R,5R)-8-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylacetamide
CID 54575364
2-[2-fluoro-4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 135312445
3-[(1-acetylpiperidin-4-yl)-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]amino]propanoic acid
CID 67303096
N-[(5R)-8-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]methanesulfonamide
CID 58488140
5-[2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]ethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 54575866

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 143800693) is N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CC(=O)NC1CC2CC[C@@H](C1)N2CCOc1ccc(Oc2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is ZTAKGWCRYPEODM-XBMUEBEBSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-15(29)26-17-13-18-3-4-19(14-17)28(18)10-11-30-20-5-7-21(8-6-20)31-24-27-22-9-2-16(25)12-23(22)32-24/h2,5-9,12,17-19H,3-4,10-11,13-14H2,1H3,(H,26,29)/t17?,18-,19?/m0/s1.
What are the key properties of N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 455.56 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-8-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 143800693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).