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

C20H26ClN3OS — CID 119677139

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)CC3CC4CCC(C3)N4)n2)cc1C.Cl
InChIInChI=1S/C20H25N3OS.ClH/c1-12-3-4-15(7-13(12)2)18-11-25-20(22-18)23-19(24)10-14-8-16-5-6-17(9-14)21-16;/h3-4,7,11,14,16-17,21H,5-6,8-10H2,1-2H3,(H,22,23,24);1H
InChIKeyGXLBYQRJBBXVDY-UHFFFAOYSA-N
MW391.97 g/mol
LogP4.71
Rot. Bonds4

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 119677139) has the molecular formula C20H26ClN3OS and a molecular weight of 391.97 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID119677139
Molecular FormulaC20H26ClN3OS
Molecular Weight391.97 g/mol
Exact Mass391.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)CC3CC4CCC(C3)N4)n2)cc1C.Cl
InChIInChI=1S/C20H25N3OS.ClH/c1-12-3-4-15(7-13(12)2)18-11-25-20(22-18)23-19(24)10-14-8-16-5-6-17(9-14)21-16;/h3-4,7,11,14,16-17,21H,5-6,8-10H2,1-2H3,(H,22,23,24);1H
InChIKeyGXLBYQRJBBXVDY-UHFFFAOYSA-N
XLogP4.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119676911
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CID 119684423
4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119702123
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CID 18556899
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79615397
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CID 1224000
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CID 19183949
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
2-cyclopentyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 71943790
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[methyl(propan-2-yl)amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 119677139) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is Cc1ccc(-c2csc(NC(=O)CC3CC4CCC(C3)N4)n2)cc1C.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is GXLBYQRJBBXVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS.ClH/c1-12-3-4-15(7-13(12)2)18-11-25-20(22-18)23-19(24)10-14-8-16-5-6-17(9-14)21-16;/h3-4,7,11,14,16-17,21H,5-6,8-10H2,1-2H3,(H,22,23,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 391.97 g/mol, XLogP of 4.71, 4 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-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119677139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).