1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate

C26H24FN3O4S — CID 130386069

About 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate

1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (PubChem CID 130386069) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.

Molecular Properties

• Compound Name: 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
• PubChem CID: 130386069
• Molecular Formula: C26H24FN3O4S
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.15
• IUPAC Name: 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
• SMILES: Cc1cc(C(=O)OC(C)CNC(=O)c2cccnc2)ccc1N1C(=O)CSC1c1ccc(F)cc1
• InChI: InChI=1S/C26H24FN3O4S/c1-16-12-19(26(33)34-17(2)13-29-24(32)20-4-3-11-28-14-20)7-10-22(16)30-23(31)15-35-25(30)18-5-8-21(27)9-6-18/h3-12,14,17,25H,13,15H2,1-2H3,(H,29,32)
• InChIKey: MJIUWASUBJFHLY-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?

The IUPAC name of 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (CID 130386069) is 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.

What is the SMILES notation for 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?

The canonical SMILES for 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is Cc1cc(C(=O)OC(C)CNC(=O)c2cccnc2)ccc1N1C(=O)CSC1c1ccc(F)cc1.

What is the InChIKey of 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?

The InChIKey is MJIUWASUBJFHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c1-16-12-19(26(33)34-17(2)13-29-24(32)20-4-3-11-28-14-20)7-10-22(16)30-23(31)15-35-25(30)18-5-8-21(27)9-6-18/h3-12,14,17,25H,13,15H2,1-2H3,(H,29,32).

What are the key properties of 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?

1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate has a molecular weight of 493.56 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(pyridine-3-carbonylamino)propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is sourced from PubChem (CID 130386069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).