[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone

C24H23F2N3O2S — CID 86305710

IUPAC[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESCc1nc(C(=O)N2CC3CCC2CC3COc2ccc(F)cn2)c(-c2ccccc2F)s1
InChIInChI=1S/C24H23F2N3O2S/c1-14-28-22(23(32-14)19-4-2-3-5-20(19)26)24(30)29-12-15-6-8-18(29)10-16(15)13-31-21-9-7-17(25)11-27-21/h2-5,7,9,11,15-16,18H,6,8,10,12-13H2,1H3
InChIKeyIFVSVUWMDWGCRF-UHFFFAOYSA-N
MW455.53 g/mol
LogP5.11
Rot. Bonds5

About [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone

[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 86305710) has the molecular formula C24H23F2N3O2S and a molecular weight of 455.53 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone
PubChem CID86305710
Molecular FormulaC24H23F2N3O2S
Molecular Weight455.53 g/mol
Exact Mass455.15
IUPAC Name[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESCc1nc(C(=O)N2CC3CCC2CC3COc2ccc(F)cn2)c(-c2ccccc2F)s1
InChIInChI=1S/C24H23F2N3O2S/c1-14-28-22(23(32-14)19-4-2-3-5-20(19)26)24(30)29-12-15-6-8-18(29)10-16(15)13-31-21-9-7-17(25)11-27-21/h2-5,7,9,11,15-16,18H,6,8,10,12-13H2,1H3
InChIKeyIFVSVUWMDWGCRF-UHFFFAOYSA-N
XLogP5.11
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 86305512
[5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone
CID 86305263
(3-fluoro-2-pyrimidin-2-ylphenyl)-[5-(pyridin-2-yloxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 86305852
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118426768
[(3aS,6aS)-2-(4,6-dimethoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 124565161
(1S,2S,5R)-3-[5-(3-fluoro-2-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 68634906
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[5-(pyridazin-3-yloxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 86305853
[(2R)-3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118891980
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone
CID 90442498
[(1R,2S,5S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 24815582
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 68632496
N-[[(4R)-3-[5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25073719

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone (CID 86305710) is [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone is Cc1nc(C(=O)N2CC3CCC2CC3COc2ccc(F)cn2)c(-c2ccccc2F)s1.
What is the InChIKey of [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The InChIKey is IFVSVUWMDWGCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2S/c1-14-28-22(23(32-14)19-4-2-3-5-20(19)26)24(30)29-12-15-6-8-18(29)10-16(15)13-31-21-9-7-17(25)11-27-21/h2-5,7,9,11,15-16,18H,6,8,10,12-13H2,1H3.
What are the key properties of [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 455.53 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 86305710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).