4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide

C23H25FN4O3S — CID 55954752

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide (PubChem CID 55954752) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
• PubChem CID: 55954752
• Molecular Formula: C23H25FN4O3S
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.16
• IUPAC Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
• SMILES: CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
• InChI: InChI=1S/C23H25FN4O3S/c1-27(12-3-7-20-16-22(26-25-20)18-5-2-6-19(24)15-18)23(29)17-8-10-21(11-9-17)28-13-4-14-32(28,30)31/h2,5-6,8-11,15-16H,3-4,7,12-14H2,1H3,(H,25,26)
• InChIKey: JLLYYEBELGSQQO-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 86.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.54
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?

The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide (CID 55954752) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide.

What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?

The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1.

What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?

The InChIKey is JLLYYEBELGSQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-27(12-3-7-20-16-22(26-25-20)18-5-2-6-19(24)15-18)23(29)17-8-10-21(11-9-17)28-13-4-14-32(28,30)31/h2,5-6,8-11,15-16H,3-4,7,12-14H2,1H3,(H,25,26).

What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide has a molecular weight of 456.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide is sourced from PubChem (CID 55954752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).