[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C23H23N3O6S — CID 55368647

About [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 55368647) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
• PubChem CID: 55368647
• Molecular Formula: C23H23N3O6S
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.13
• IUPAC Name: [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
• SMILES: COc1ccccc1NC(=O)Cc1nc(COC(=O)C2CCCN2C(=O)c2ccco2)cs1
• InChI: InChI=1S/C23H23N3O6S/c1-30-18-8-3-2-6-16(18)25-20(27)12-21-24-15(14-33-21)13-32-23(29)17-7-4-10-26(17)22(28)19-9-5-11-31-19/h2-3,5-6,8-9,11,14,17H,4,7,10,12-13H2,1H3,(H,25,27)
• InChIKey: XDPWNZAQMBJFNE-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 110.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?

The IUPAC name of [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 55368647) is [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

What is the SMILES notation for [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?

The canonical SMILES for [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is COc1ccccc1NC(=O)Cc1nc(COC(=O)C2CCCN2C(=O)c2ccco2)cs1.

What is the InChIKey of [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?

The InChIKey is XDPWNZAQMBJFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-30-18-8-3-2-6-16(18)25-20(27)12-21-24-15(14-33-21)13-32-23(29)17-7-4-10-26(17)22(28)19-9-5-11-31-19/h2-3,5-6,8-9,11,14,17H,4,7,10,12-13H2,1H3,(H,25,27).

What are the key properties of [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?

[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 469.52 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55368647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).