N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide

C21H21FN6O3S — CID 167910908

About N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide

N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 167910908) has the molecular formula C21H21FN6O3S and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
• PubChem CID: 167910908
• Molecular Formula: C21H21FN6O3S
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.14
• IUPAC Name: N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
• SMILES: CCC1(c2cnn(C)c2)NC(=O)N(Cc2csc(N(C(C)=O)c3ccccc3F)n2)C1=O
• InChI: InChI=1S/C21H21FN6O3S/c1-4-21(14-9-23-26(3)10-14)18(30)27(19(31)25-21)11-15-12-32-20(24-15)28(13(2)29)17-8-6-5-7-16(17)22/h5-10,12H,4,11H2,1-3H3,(H,25,31)
• InChIKey: WZGSGYQEDNXPIK-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 100.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
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 N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?

The IUPAC name of N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (CID 167910908) is N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.

What is the SMILES notation for N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?

The canonical SMILES for N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is CCC1(c2cnn(C)c2)NC(=O)N(Cc2csc(N(C(C)=O)c3ccccc3F)n2)C1=O.

What is the InChIKey of N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?

The InChIKey is WZGSGYQEDNXPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3S/c1-4-21(14-9-23-26(3)10-14)18(30)27(19(31)25-21)11-15-12-32-20(24-15)28(13(2)29)17-8-6-5-7-16(17)22/h5-10,12H,4,11H2,1-3H3,(H,25,31).

What are the key properties of N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?

N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 456.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 167910908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).