N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide

C17H19N3O2S — CID 10471783

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(Oc2cncs2)cc1
InChIInChI=1S/C17H19N3O2S/c21-17(19-15-10-20-7-5-12(15)6-8-20)13-1-3-14(4-2-13)22-16-9-18-11-23-16/h1-4,9,11-12,15H,5-8,10H2,(H,19,21)/t15-/m0/s1
InChIKeyOIDUHNDXXNPZLY-HNNXBMFYSA-N
MW329.43 g/mol
LogP2.76
Rot. Bonds4

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide (PubChem CID 10471783) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
PubChem CID10471783
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(Oc2cncs2)cc1
InChIInChI=1S/C17H19N3O2S/c21-17(19-15-10-20-7-5-12(15)6-8-20)13-1-3-14(4-2-13)22-16-9-18-11-23-16/h1-4,9,11-12,15H,5-8,10H2,(H,19,21)/t15-/m0/s1
InChIKeyOIDUHNDXXNPZLY-HNNXBMFYSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide
CID 18399895
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573704
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-thiadiazol-2-yl)oxy]benzamide
CID 18383785
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897176
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3,4-oxadiazol-2-yloxy)benzamide
CID 18383462
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383923
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide
CID 18383816
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide (CID 10471783) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc(Oc2cncs2)cc1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide?
The InChIKey is OIDUHNDXXNPZLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-17(19-15-10-20-7-5-12(15)6-8-20)13-1-3-14(4-2-13)22-16-9-18-11-23-16/h1-4,9,11-12,15H,5-8,10H2,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide has a molecular weight of 329.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide is sourced from PubChem (CID 10471783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).