4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C22H16F4N4O3S — CID 156738809

About 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 156738809) has the molecular formula C22H16F4N4O3S and a molecular weight of 492.45 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 156738809
• Molecular Formula: C22H16F4N4O3S
• Molecular Weight: 492.45 g/mol
• Exact Mass: 492.09
• IUPAC Name: 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1ncsc1C1(CNC(=O)c2ccc(F)cc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
• InChI: InChI=1S/C22H16F4N4O3S/c1-11-17(34-10-28-11)21(19(32)29-20(33)30-21)9-27-18(31)15-7-6-14(23)8-16(15)12-2-4-13(5-3-12)22(24,25)26/h2-8,10H,9H2,1H3,(H,27,31)(H2,29,30,32,33)
• InChIKey: KLXDOUJAUHXXJP-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 100.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.45
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 156738809) is 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1ncsc1C1(CNC(=O)c2ccc(F)cc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O.

What is the InChIKey of 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The InChIKey is KLXDOUJAUHXXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O3S/c1-11-17(34-10-28-11)21(19(32)29-20(33)30-21)9-27-18(31)15-7-6-14(23)8-16(15)12-2-4-13(5-3-12)22(24,25)26/h2-8,10H,9H2,1H3,(H,27,31)(H2,29,30,32,33).

What are the key properties of 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 492.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 156738809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).