N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide

C19H23N3OS — CID 119071573

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide
SMILESCc1nc(C)c(-c2ccc(C(=O)NC3CN4CCC3CC4)cc2)s1
InChIInChI=1S/C19H23N3OS/c1-12-18(24-13(2)20-12)15-3-5-16(6-4-15)19(23)21-17-11-22-9-7-14(17)8-10-22/h3-6,14,17H,7-11H2,1-2H3,(H,21,23)
InChIKeyLAHWRBLBHRPCHA-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.25
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide (PubChem CID 119071573) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide
PubChem CID119071573
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide
SMILESCc1nc(C)c(-c2ccc(C(=O)NC3CN4CCC3CC4)cc2)s1
InChIInChI=1S/C19H23N3OS/c1-12-18(24-13(2)20-12)15-3-5-16(6-4-15)19(23)21-17-11-22-9-7-14(17)8-10-22/h3-6,14,17H,7-11H2,1-2H3,(H,21,23)
InChIKeyLAHWRBLBHRPCHA-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide
CID 22350586
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
CID 91404239
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]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 10149424
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide
CID 58932940
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide
CID 121494527
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide (CID 119071573) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide is Cc1nc(C)c(-c2ccc(C(=O)NC3CN4CCC3CC4)cc2)s1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is LAHWRBLBHRPCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-12-18(24-13(2)20-12)15-3-5-16(6-4-15)19(23)21-17-11-22-9-7-14(17)8-10-22/h3-6,14,17H,7-11H2,1-2H3,(H,21,23).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 341.48 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 119071573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).