2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride

C20H23ClN4OS — CID 119677635

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C20H22N4OS.ClH/c25-19(11-13-9-16-5-6-17(10-13)21-16)22-15-3-1-14(2-4-15)18-12-24-7-8-26-20(24)23-18;/h1-4,7-8,12-13,16-17,21H,5-6,9-11H2,(H,22,25);1H
InChIKeyZZYPMVSOTLKAAF-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.34
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride (PubChem CID 119677635) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride
PubChem CID119677635
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C20H22N4OS.ClH/c25-19(11-13-9-16-5-6-17(10-13)21-16)22-15-3-1-14(2-4-15)18-12-24-7-8-26-20(24)23-18;/h1-4,7-8,12-13,16-17,21H,5-6,9-11H2,(H,22,25);1H
InChIKeyZZYPMVSOTLKAAF-UHFFFAOYSA-N
XLogP4.34
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 119686460
3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119677611
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119264905
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119677623
3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 40723401
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
(2R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677602
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677624
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759073
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119676911

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride (CID 119677635) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride?
The InChIKey is ZZYPMVSOTLKAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS.ClH/c25-19(11-13-9-16-5-6-17(10-13)21-16)22-15-3-1-14(2-4-15)18-12-24-7-8-26-20(24)23-18;/h1-4,7-8,12-13,16-17,21H,5-6,9-11H2,(H,22,25);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride has a molecular weight of 402.95 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119677635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).