3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide

C20H26N4OS — CID 128970567

About 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide

3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide (PubChem CID 128970567) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide
• PubChem CID: 128970567
• Molecular Formula: C20H26N4OS
• Molecular Weight: 370.52 g/mol
• Exact Mass: 370.18
• IUPAC Name: 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide
• SMILES: CN(Cc1nccs1)C1CC12CCN(Cc1cccc(C(N)=O)c1)CC2
• InChI: InChI=1S/C20H26N4OS/c1-23(14-18-22-7-10-26-18)17-12-20(17)5-8-24(9-6-20)13-15-3-2-4-16(11-15)19(21)25/h2-4,7,10-11,17H,5-6,8-9,12-14H2,1H3,(H2,21,25)
• InChIKey: GWWZVBLGCKIXEL-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 62.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.52
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide?

The IUPAC name of 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide (CID 128970567) is 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide.

What is the SMILES notation for 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide?

The canonical SMILES for 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide is CN(Cc1nccs1)C1CC12CCN(Cc1cccc(C(N)=O)c1)CC2.

What is the InChIKey of 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide?

The InChIKey is GWWZVBLGCKIXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-23(14-18-22-7-10-26-18)17-12-20(17)5-8-24(9-6-20)13-15-3-2-4-16(11-15)19(21)25/h2-4,7,10-11,17H,5-6,8-9,12-14H2,1H3,(H2,21,25).

What are the key properties of 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide?

3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide has a molecular weight of 370.52 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide is sourced from PubChem (CID 128970567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).