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

C21H28N6O2S — CID 156576432

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

N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 156576432) has the molecular formula C21H28N6O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 156576432
• Molecular Formula: C21H28N6O2S
• Molecular Weight: 428.56 g/mol
• Exact Mass: 428.20
• IUPAC Name: N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(CN2CCC3(CC2)CN(Cc2ccc(C)nc2C)C(=O)N3)s1
• InChI: InChI=1S/C21H28N6O2S/c1-14-4-5-17(15(2)23-14)11-27-13-21(25-20(27)29)6-8-26(9-7-21)12-18-10-22-19(30-18)24-16(3)28/h4-5,10H,6-9,11-13H2,1-3H3,(H,25,29)(H,22,24,28)
• InChIKey: DSELUIDRTLZRAI-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.56
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 156576432) is N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CC2)CN(Cc2ccc(C)nc2C)C(=O)N3)s1.

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

The InChIKey is DSELUIDRTLZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S/c1-14-4-5-17(15(2)23-14)11-27-13-21(25-20(27)29)6-8-26(9-7-21)12-18-10-22-19(30-18)24-16(3)28/h4-5,10H,6-9,11-13H2,1-3H3,(H,25,29)(H,22,24,28).

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

N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 428.56 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 156576432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).