4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

C24H26FN5O4S — CID 3188864

About 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3188864) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 3188864
• Molecular Formula: C24H26FN5O4S
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.17
• IUPAC Name: 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
• SMILES: CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NCCOC)c1ccc(F)cc1
• InChI: InChI=1S/C24H26FN5O4S/c1-3-14-6-4-5-7-17(14)30(24(33)21-18(26)19(22(27)31)29-35-21)20(23(32)28-12-13-34-2)15-8-10-16(25)11-9-15/h4-11,20H,3,12-13,26H2,1-2H3,(H2,27,31)(H,28,32)
• InChIKey: HXXFWRCRPJDBQT-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 140.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide (CID 3188864) is 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide is CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NCCOC)c1ccc(F)cc1.

What is the InChIKey of 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is HXXFWRCRPJDBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-3-14-6-4-5-7-17(14)30(24(33)21-18(26)19(22(27)31)29-35-21)20(23(32)28-12-13-34-2)15-8-10-16(25)11-9-15/h4-11,20H,3,12-13,26H2,1-2H3,(H2,27,31)(H,28,32).

What are the key properties of 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 499.57 g/mol, XLogP of 2.68, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-(2-ethylphenyl)-5-N-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3188864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).