2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide

C18H20N4O3S — CID 70162214

IUPAC2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
SMILESCC(=O)c1nnc(Oc2ccccc2C(=O)N[C@H]2CN3CCC2CC3)s1
InChIInChI=1S/C18H20N4O3S/c1-11(23)17-20-21-18(26-17)25-15-5-3-2-4-13(15)16(24)19-14-10-22-8-6-12(14)7-9-22/h2-5,12,14H,6-10H2,1H3,(H,19,24)/t14-/m0/s1
InChIKeyDWBIHKCJQRPFMX-AWEZNQCLSA-N
MW372.45 g/mol
LogP2.36
Rot. Bonds5

About 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide

2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide (PubChem CID 70162214) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide.

Molecular Properties

Compound Name2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
PubChem CID70162214
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
SMILESCC(=O)c1nnc(Oc2ccccc2C(=O)N[C@H]2CN3CCC2CC3)s1
InChIInChI=1S/C18H20N4O3S/c1-11(23)17-20-21-18(26-17)25-15-5-3-2-4-13(15)16(24)19-14-10-22-8-6-12(14)7-9-22/h2-5,12,14H,6-10H2,1H3,(H,19,24)/t14-/m0/s1
InChIKeyDWBIHKCJQRPFMX-AWEZNQCLSA-N
XLogP2.36
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
CID 24834277
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-thiadiazol-2-yl)oxy]benzamide
CID 18383785
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-propoxybenzamide;2,2,2-trifluoroacetic acid
CID 45381613
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-hydroxyphenoxy)thiophene-2-carboxamide
CID 18180782
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(benzenesulfinyl)-1,3,4-thiadiazole-2-carboxamide
CID 10292145
N-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]-2-methoxybenzamide;(E)-but-2-enedioic acid
CID 15616383
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
The IUPAC name of 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide (CID 70162214) is 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide.
What is the SMILES notation for 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
The canonical SMILES for 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide is CC(=O)c1nnc(Oc2ccccc2C(=O)N[C@H]2CN3CCC2CC3)s1.
What is the InChIKey of 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
The InChIKey is DWBIHKCJQRPFMX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11(23)17-20-21-18(26-17)25-15-5-3-2-4-13(15)16(24)19-14-10-22-8-6-12(14)7-9-22/h2-5,12,14H,6-10H2,1H3,(H,19,24)/t14-/m0/s1.
What are the key properties of 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide has a molecular weight of 372.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide is sourced from PubChem (CID 70162214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).