2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride

C20H25ClFN3OS — CID 119718780

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 119718780) has the molecular formula C20H25ClFN3OS and a molecular weight of 409.96 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
• PubChem CID: 119718780
• Molecular Formula: C20H25ClFN3OS
• Molecular Weight: 409.96 g/mol
• Exact Mass: 409.14
• IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
• SMILES: Cc1ccc(Cc2cnc(NC(=O)CC3CC4CCC(C3)N4)s2)cc1F.Cl
• InChI: InChI=1S/C20H24FN3OS.ClH/c1-12-2-3-13(9-18(12)21)8-17-11-22-20(26-17)24-19(25)10-14-6-15-4-5-16(7-14)23-15;/h2-3,9,11,14-16,23H,4-8,10H2,1H3,(H,22,24,25);1H
• InChIKey: NWXSZGYQRVMWCO-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.96
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?

The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 119718780) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride.

What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?

The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is Cc1ccc(Cc2cnc(NC(=O)CC3CC4CCC(C3)N4)s2)cc1F.Cl.

What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?

The InChIKey is NWXSZGYQRVMWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS.ClH/c1-12-2-3-13(9-18(12)21)8-17-11-22-20(26-17)24-19(25)10-14-6-15-4-5-16(7-14)23-15;/h2-3,9,11,14-16,23H,4-8,10H2,1H3,(H,22,24,25);1H.

What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 4.46, 5 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-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119718780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).