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

C27H18F5N5O3S — CID 177380996

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

3,4-difluoro-N-[[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 177380996) has the molecular formula C27H18F5N5O3S and a molecular weight of 587.53 g/mol. Its IUPAC name is 3,4-difluoro-N-[[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3,4-difluoro-N-[[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 177380996
• Molecular Formula: C27H18F5N5O3S
• Molecular Weight: 587.53 g/mol
• Exact Mass: 587.11
• IUPAC Name: 3,4-difluoro-N-[[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1sc(-c2cccnc2)nc1C1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
• InChI: InChI=1S/C27H18F5N5O3S/c1-13-21(35-23(41-13)15-3-2-10-33-11-15)26(24(39)36-25(40)37-26)12-34-22(38)17-8-9-18(28)20(29)19(17)14-4-6-16(7-5-14)27(30,31)32/h2-11H,12H2,1H3,(H,34,38)(H2,36,37,39,40)
• InChIKey: DRGHOYBVMSJEQU-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 113.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.53
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3,4-difluoro-N-[[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 177380996) is 3,4-difluoro-N-[[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

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

The canonical SMILES for 3,4-difluoro-N-[[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1sc(-c2cccnc2)nc1C1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O.

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

The InChIKey is DRGHOYBVMSJEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F5N5O3S/c1-13-21(35-23(41-13)15-3-2-10-33-11-15)26(24(39)36-25(40)37-26)12-34-22(38)17-8-9-18(28)20(29)19(17)14-4-6-16(7-5-14)27(30,31)32/h2-11H,12H2,1H3,(H,34,38)(H2,36,37,39,40).

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

3,4-difluoro-N-[[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 587.53 g/mol, XLogP of 4.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-difluoro-N-[[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 177380996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).