4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide

C25H22N4O3S — CID 28578853

About 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide

4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 28578853) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
• PubChem CID: 28578853
• Molecular Formula: C25H22N4O3S
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.14
• IUPAC Name: 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
• SMILES: O=C(NCc1ccccc1-n1ccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C25H22N4O3S/c30-23-16-33-25(29(23)15-21-5-3-13-32-21)19-9-7-18(8-10-19)24(31)27-14-20-4-1-2-6-22(20)28-12-11-26-17-28/h1-13,17,25H,14-16H2,(H,27,31)/t25-/m0/s1
• InChIKey: TYTBFUBTFJDJKL-VWLOTQADSA-N
• XLogP: 4.17
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?

The IUPAC name of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide (CID 28578853) is 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide.

What is the SMILES notation for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?

The canonical SMILES for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide is O=C(NCc1ccccc1-n1ccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1.

What is the InChIKey of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?

The InChIKey is TYTBFUBTFJDJKL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22N4O3S/c30-23-16-33-25(29(23)15-21-5-3-13-32-21)19-9-7-18(8-10-19)24(31)27-14-20-4-1-2-6-22(20)28-12-11-26-17-28/h1-13,17,25H,14-16H2,(H,27,31)/t25-/m0/s1.

What are the key properties of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?

4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 458.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 28578853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).