3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole

C22H23N3O2S — CID 10178691

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole
SMILESc1ccc(Oc2cccc(COc3nsnc3C3CN4CCC3CC4)c2)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-6-18(7-3-1)27-19-8-4-5-16(13-19)15-26-22-21(23-28-24-22)20-14-25-11-9-17(20)10-12-25/h1-8,13,17,20H,9-12,14-15H2
InChIKeyUGYHELGVXXXIRC-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.72
Rot. Bonds6

About 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole

3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole (PubChem CID 10178691) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole
PubChem CID10178691
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole
SMILESc1ccc(Oc2cccc(COc3nsnc3C3CN4CCC3CC4)c2)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-6-18(7-3-1)27-19-8-4-5-16(13-19)15-26-22-21(23-28-24-22)20-14-25-11-9-17(20)10-12-25/h1-8,13,17,20H,9-12,14-15H2
InChIKeyUGYHELGVXXXIRC-UHFFFAOYSA-N
XLogP4.72
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole with MolForge

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Related Compounds

3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[2-[2-[2-[2-[(4-methoxy-1,2,5-thiadiazol-3-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]-1,2,5-thiadiazole
CID 44546721
(3R)-3-[4-(3-phenylmethoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 155530137
3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 67458744
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
(3-phenoxyphenyl)methylphosphane
CID 70930904
CID 163958367
CID 163958367
3-phenyl-1-azabicyclo[2.2.2]octane
CID 604334
1-phenoxy-3-(4,4,4-trifluorobutoxymethyl)benzene
CID 70229700
2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 174891320
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
3-(2-ethylpiperidin-1-yl)-4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949680
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole (CID 10178691) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole is c1ccc(Oc2cccc(COc3nsnc3C3CN4CCC3CC4)c2)cc1.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole?
The InChIKey is UGYHELGVXXXIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-2-6-18(7-3-1)27-19-8-4-5-16(13-19)15-26-22-21(23-28-24-22)20-14-25-11-9-17(20)10-12-25/h1-8,13,17,20H,9-12,14-15H2.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole?
3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole has a molecular weight of 393.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(3-phenoxyphenyl)methoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 10178691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).