8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H26N4O2S — CID 72868156

About 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72868156) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72868156
• Molecular Formula: C21H26N4O2S
• Molecular Weight: 398.53 g/mol
• Exact Mass: 398.18
• IUPAC Name: 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1ncsc1C(=O)N1CCCC2(CCC(=O)N(CCc3ccccn3)C2)C1
• InChI: InChI=1S/C21H26N4O2S/c1-16-19(28-15-23-16)20(27)25-11-4-8-21(14-25)9-6-18(26)24(13-21)12-7-17-5-2-3-10-22-17/h2-3,5,10,15H,4,6-9,11-14H2,1H3
• InChIKey: ZYZLDRYELUWEBF-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 66.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.53
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72868156) is 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1ncsc1C(=O)N1CCCC2(CCC(=O)N(CCc3ccccn3)C2)C1.

What is the InChIKey of 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is ZYZLDRYELUWEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-16-19(28-15-23-16)20(27)25-11-4-8-21(14-25)9-6-18(26)24(13-21)12-7-17-5-2-3-10-22-17/h2-3,5,10,15H,4,6-9,11-14H2,1H3.

What are the key properties of 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 398.53 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-methyl-1,3-thiazole-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72868156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).