2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride

C19H27Cl2N3OS — CID 119900501

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride (PubChem CID 119900501) has the molecular formula C19H27Cl2N3OS and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
• PubChem CID: 119900501
• Molecular Formula: C19H27Cl2N3OS
• Molecular Weight: 416.42 g/mol
• Exact Mass: 415.13
• IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
• SMILES: CC(Cc1nc2ccccc2s1)NC(=O)CC1CC2CCC(C1)N2.Cl.Cl
• InChI: InChI=1S/C19H25N3OS.2ClH/c1-12(8-19-22-16-4-2-3-5-17(16)24-19)20-18(23)11-13-9-14-6-7-15(10-13)21-14;;/h2-5,12-15,21H,6-11H2,1H3,(H,20,23);2*1H
• InChIKey: XABNPIJVEKKFLX-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.42
LogP ≤ 5	4.11
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-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride?

The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride (CID 119900501) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride.

What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride?

The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride is CC(Cc1nc2ccccc2s1)NC(=O)CC1CC2CCC(C1)N2.Cl.Cl.

What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride?

The InChIKey is XABNPIJVEKKFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS.2ClH/c1-12(8-19-22-16-4-2-3-5-17(16)24-19)20-18(23)11-13-9-14-6-7-15(10-13)21-14;;/h2-5,12-15,21H,6-11H2,1H3,(H,20,23);2*1H.

What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride?

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride has a molecular weight of 416.42 g/mol, XLogP of 4.11, 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-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119900501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).