[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

C26H23FN2O4S — CID 33080315

About [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (PubChem CID 33080315) has the molecular formula C26H23FN2O4S and a molecular weight of 478.55 g/mol. Its IUPAC name is [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.

Molecular Properties

• Compound Name: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
• PubChem CID: 33080315
• Molecular Formula: C26H23FN2O4S
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.14
• IUPAC Name: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
• SMILES: Cc1ccc(NC(=O)Cc2nc(COC(=O)CCc3ccc(-c4ccccc4F)o3)cs2)cc1
• InChI: InChI=1S/C26H23FN2O4S/c1-17-6-8-18(9-7-17)28-24(30)14-25-29-19(16-34-25)15-32-26(31)13-11-20-10-12-23(33-20)21-4-2-3-5-22(21)27/h2-10,12,16H,11,13-15H2,1H3,(H,28,30)
• InChIKey: ZACJJTVDHVTSDS-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?

The IUPAC name of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (CID 33080315) is [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.

What is the SMILES notation for [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?

The canonical SMILES for [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is Cc1ccc(NC(=O)Cc2nc(COC(=O)CCc3ccc(-c4ccccc4F)o3)cs2)cc1.

What is the InChIKey of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?

The InChIKey is ZACJJTVDHVTSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4S/c1-17-6-8-18(9-7-17)28-24(30)14-25-29-19(16-34-25)15-32-26(31)13-11-20-10-12-23(33-20)21-4-2-3-5-22(21)27/h2-10,12,16H,11,13-15H2,1H3,(H,28,30).

What are the key properties of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?

[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate has a molecular weight of 478.55 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is sourced from PubChem (CID 33080315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).