2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide

C18H22N6O3S — CID 92626388

About 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 92626388) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 92626388
• Molecular Formula: C18H22N6O3S
• Molecular Weight: 402.48 g/mol
• Exact Mass: 402.15
• IUPAC Name: 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3cnn(C)c3)cs1)C2=O
• InChI: InChI=1S/C18H22N6O3S/c1-11-3-5-18(6-4-11)15(26)24(17(27)22-18)9-14(25)21-16-20-13(10-28-16)12-7-19-23(2)8-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,22,27)(H,20,21,25)
• InChIKey: TZBUOXQQUMOOQP-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.48
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide (CID 92626388) is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3cnn(C)c3)cs1)C2=O.

What is the InChIKey of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is TZBUOXQQUMOOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-11-3-5-18(6-4-11)15(26)24(17(27)22-18)9-14(25)21-16-20-13(10-28-16)12-7-19-23(2)8-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,22,27)(H,20,21,25).

What are the key properties of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide?

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.48 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 92626388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).