N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide

C30H26F3N5O2S — CID 66619346

About N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide

N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide (PubChem CID 66619346) has the molecular formula C30H26F3N5O2S and a molecular weight of 577.63 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
• PubChem CID: 66619346
• Molecular Formula: C30H26F3N5O2S
• Molecular Weight: 577.63 g/mol
• Exact Mass: 577.18
• IUPAC Name: N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
• SMILES: Cc1nc2cc(C(F)(F)F)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)n1
• InChI: InChI=1S/C30H26F3N5O2S/c1-18-26(38-13-10-21(30(31,32)33)16-25(38)35-18)24-17-41-28(37-24)29(11-14-40-15-12-29)20-8-6-19(7-9-20)27(39)36-23-5-3-2-4-22(23)34/h2-10,13,16-17H,11-12,14-15,34H2,1H3,(H,36,39)
• InChIKey: DVKOFMDLVVKAOP-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 94.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.63
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide (CID 66619346) is N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide is Cc1nc2cc(C(F)(F)F)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)n1.

What is the InChIKey of N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?

The InChIKey is DVKOFMDLVVKAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N5O2S/c1-18-26(38-13-10-21(30(31,32)33)16-25(38)35-18)24-17-41-28(37-24)29(11-14-40-15-12-29)20-8-6-19(7-9-20)27(39)36-23-5-3-2-4-22(23)34/h2-10,13,16-17H,11-12,14-15,34H2,1H3,(H,36,39).

What are the key properties of N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?

N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide has a molecular weight of 577.63 g/mol, XLogP of 6.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide is sourced from PubChem (CID 66619346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).