N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide

C17H19N3O2S — CID 22573531

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C17H19N3O2S/c21-16(19-14-9-12-5-7-20(10-12)11-14)13-1-3-15(4-2-13)22-17-18-6-8-23-17/h1-4,6,8,12,14H,5,7,9-11H2,(H,19,21)
InChIKeyVEDGHIXEIGWGLT-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.76
Rot. Bonds4

About N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide (PubChem CID 22573531) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
PubChem CID22573531
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C17H19N3O2S/c21-16(19-14-9-12-5-7-20(10-12)11-14)13-1-3-15(4-2-13)22-17-18-6-8-23-17/h1-4,6,8,12,14H,5,7,9-11H2,(H,19,21)
InChIKeyVEDGHIXEIGWGLT-UHFFFAOYSA-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

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573704
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 10172198
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(4-methylfuran-2-yl)oxybenzamide
CID 22573755
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
CID 22481698
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
CID 22573759
N-(1-azabicyclo[3.2.1]octan-3-yl)thieno[2,3-b]pyridine-6-carboxamide
CID 22389175
N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide
CID 90905599
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481751
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylindolizine-6-carboxamide
CID 22565805
N-butyl-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813695
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide (CID 22573531) is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide is O=C(NC1CC2CCN(C2)C1)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide?
The InChIKey is VEDGHIXEIGWGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(19-14-9-12-5-7-20(10-12)11-14)13-1-3-15(4-2-13)22-17-18-6-8-23-17/h1-4,6,8,12,14H,5,7,9-11H2,(H,19,21).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-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-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide is sourced from PubChem (CID 22573531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).