N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

C25H19F3N6OS — CID 25153415

About N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 25153415) has the molecular formula C25H19F3N6OS and a molecular weight of 508.53 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• PubChem CID: 25153415
• Molecular Formula: C25H19F3N6OS
• Molecular Weight: 508.53 g/mol
• Exact Mass: 508.13
• IUPAC Name: N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• SMILES: Cc1nc2ccc(C(F)(F)F)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
• InChI: InChI=1S/C25H19F3N6OS/c1-14-22(34-12-16(25(26,27)28)8-11-21(34)30-14)20-13-36-24(33-20)31-17-9-6-15(7-10-17)23(35)32-19-5-3-2-4-18(19)29/h2-13H,29H2,1H3,(H,31,33)(H,32,35)
• InChIKey: DPBTXBJVDBVYJO-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 97.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.53
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	3
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-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 25153415) is N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is Cc1nc2ccc(C(F)(F)F)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.

What is the InChIKey of N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The InChIKey is DPBTXBJVDBVYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6OS/c1-14-22(34-12-16(25(26,27)28)8-11-21(34)30-14)20-13-36-24(33-20)31-17-9-6-15(7-10-17)23(35)32-19-5-3-2-4-18(19)29/h2-13H,29H2,1H3,(H,31,33)(H,32,35).

What are the key properties of N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 508.53 g/mol, XLogP of 6.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 25153415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).