N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide

C19H25N5O3S — CID 112804797

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide (PubChem CID 112804797) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide.

Molecular Properties

• Compound Name: N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
• PubChem CID: 112804797
• Molecular Formula: C19H25N5O3S
• Molecular Weight: 403.51 g/mol
• Exact Mass: 403.17
• IUPAC Name: N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
• SMILES: Cc1cn2c(CN(C)C(=O)CN3C(=O)NC4(CCCCC4)C3=O)c(C)nc2s1
• InChI: InChI=1S/C19H25N5O3S/c1-12-9-23-14(13(2)20-18(23)28-12)10-22(3)15(25)11-24-16(26)19(21-17(24)27)7-5-4-6-8-19/h9H,4-8,10-11H2,1-3H3,(H,21,27)
• InChIKey: WQQQDYLHRJRPMI-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 87.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.51
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?

The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide (CID 112804797) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide.

What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?

The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide is Cc1cn2c(CN(C)C(=O)CN3C(=O)NC4(CCCCC4)C3=O)c(C)nc2s1.

What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?

The InChIKey is WQQQDYLHRJRPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-12-9-23-14(13(2)20-18(23)28-12)10-22(3)15(25)11-24-16(26)19(21-17(24)27)7-5-4-6-8-19/h9H,4-8,10-11H2,1-3H3,(H,21,27).

What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide has a molecular weight of 403.51 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide is sourced from PubChem (CID 112804797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).