N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride

C19H25Cl2N3O2S — CID 119458129

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride (PubChem CID 119458129) has the molecular formula C19H25Cl2N3O2S and a molecular weight of 430.40 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride.

Molecular Properties

• Compound Name: N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
• PubChem CID: 119458129
• Molecular Formula: C19H25Cl2N3O2S
• Molecular Weight: 430.40 g/mol
• Exact Mass: 429.10
• IUPAC Name: N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
• SMILES: Cc1nc(COc2cccc(C(=O)NC3CC4CCC(C3)N4)c2)cs1.Cl.Cl
• InChI: InChI=1S/C19H23N3O2S.2ClH/c1-12-20-17(11-25-12)10-24-18-4-2-3-13(7-18)19(23)22-16-8-14-5-6-15(9-16)21-14;;/h2-4,7,11,14-16,21H,5-6,8-10H2,1H3,(H,22,23);2*1H
• InChIKey: GPZJWJGTTWGXMW-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.40
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?

The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride (CID 119458129) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride.

What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?

The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride is Cc1nc(COc2cccc(C(=O)NC3CC4CCC(C3)N4)c2)cs1.Cl.Cl.

What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?

The InChIKey is GPZJWJGTTWGXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.2ClH/c1-12-20-17(11-25-12)10-24-18-4-2-3-13(7-18)19(23)22-16-8-14-5-6-15(9-16)21-14;;/h2-4,7,11,14-16,21H,5-6,8-10H2,1H3,(H,22,23);2*1H.

What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride has a molecular weight of 430.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride is sourced from PubChem (CID 119458129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).