2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride

C21H29Cl2N3OS — CID 119893380

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCc1sc(CCNC(=O)CC2CC3CCC(C2)N3)nc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C21H27N3OS.2ClH/c1-14-21(16-5-3-2-4-6-16)24-20(26-14)9-10-22-19(25)13-15-11-17-7-8-18(12-15)23-17;;/h2-6,15,17-18,23H,7-13H2,1H3,(H,22,25);2*1H
InChIKeyHZPGPIIQEQAETI-UHFFFAOYSA-N
MW442.46 g/mol
LogP4.54
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride (PubChem CID 119893380) has the molecular formula C21H29Cl2N3OS and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
PubChem CID119893380
Molecular FormulaC21H29Cl2N3OS
Molecular Weight442.46 g/mol
Exact Mass441.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCc1sc(CCNC(=O)CC2CC3CCC(C2)N3)nc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C21H27N3OS.2ClH/c1-14-21(16-5-3-2-4-6-16)24-20(26-14)9-10-22-19(25)13-15-11-17-7-8-18(12-15)23-17;;/h2-6,15,17-18,23H,7-13H2,1H3,(H,22,25);2*1H
InChIKeyHZPGPIIQEQAETI-UHFFFAOYSA-N
XLogP4.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride 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

2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 110014751
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
CID 119759800
2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119893382
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 79608018
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 79611025
5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 44774897
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 79607241
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-benzofuran-2-yl)ethyl]acetamide
CID 119799136
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide
CID 124591619
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119781344

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride (CID 119893380) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride is Cc1sc(CCNC(=O)CC2CC3CCC(C2)N3)nc1-c1ccccc1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is HZPGPIIQEQAETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS.2ClH/c1-14-21(16-5-3-2-4-6-16)24-20(26-14)9-10-22-19(25)13-15-11-17-7-8-18(12-15)23-17;;/h2-6,15,17-18,23H,7-13H2,1H3,(H,22,25);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 442.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119893380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).