methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate

C23H18F2N4O5S — CID 73048780

About methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 73048780) has the molecular formula C23H18F2N4O5S and a molecular weight of 500.48 g/mol. Its IUPAC name is methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
• PubChem CID: 73048780
• Molecular Formula: C23H18F2N4O5S
• Molecular Weight: 500.48 g/mol
• Exact Mass: 500.10
• IUPAC Name: methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
• SMILES: COC(=O)c1csc(NC(=O)C(Cc2ccccc2)N2C(=O)NC(c3ccc(F)cc3F)C2=O)n1
• InChI: InChI=1S/C23H18F2N4O5S/c1-34-21(32)16-11-35-22(26-16)28-19(30)17(9-12-5-3-2-4-6-12)29-20(31)18(27-23(29)33)14-8-7-13(24)10-15(14)25/h2-8,10-11,17-18H,9H2,1H3,(H,27,33)(H,26,28,30)
• InChIKey: HKBFQULSXILONT-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.48
LogP ≤ 5	3.05
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 methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?

The IUPAC name of methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate (CID 73048780) is methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?

The canonical SMILES for methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(=O)C(Cc2ccccc2)N2C(=O)NC(c3ccc(F)cc3F)C2=O)n1.

What is the InChIKey of methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?

The InChIKey is HKBFQULSXILONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O5S/c1-34-21(32)16-11-35-22(26-16)28-19(30)17(9-12-5-3-2-4-6-12)29-20(31)18(27-23(29)33)14-8-7-13(24)10-15(14)25/h2-8,10-11,17-18H,9H2,1H3,(H,27,33)(H,26,28,30).

What are the key properties of methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?

methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 500.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 73048780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).