N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide

C21H29N7O2S — CID 146415306

About N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide

N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146415306) has the molecular formula C21H29N7O2S and a molecular weight of 443.58 g/mol. Its IUPAC name is N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 146415306
• Molecular Formula: C21H29N7O2S
• Molecular Weight: 443.58 g/mol
• Exact Mass: 443.21
• IUPAC Name: N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(C(C)N2CCC3(CC2)CN(Cc2cc(C)nc(C)n2)C(=O)N3)s1
• InChI: InChI=1S/C21H29N7O2S/c1-13-9-17(24-15(3)23-13)11-28-12-21(26-20(28)30)5-7-27(8-6-21)14(2)18-10-22-19(31-18)25-16(4)29/h9-10,14H,5-8,11-12H2,1-4H3,(H,26,30)(H,22,25,29)
• InChIKey: UCPUJIVMBVQGGJ-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 103.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.58
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 146415306) is N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(C(C)N2CCC3(CC2)CN(Cc2cc(C)nc(C)n2)C(=O)N3)s1.

What is the InChIKey of N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is UCPUJIVMBVQGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2S/c1-13-9-17(24-15(3)23-13)11-28-12-21(26-20(28)30)5-7-27(8-6-21)14(2)18-10-22-19(31-18)25-16(4)29/h9-10,14H,5-8,11-12H2,1-4H3,(H,26,30)(H,22,25,29).

What are the key properties of N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 443.58 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146415306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).