N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

C26H25N7OS — CID 58163728

About N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 58163728) has the molecular formula C26H25N7OS and a molecular weight of 483.60 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• PubChem CID: 58163728
• Molecular Formula: C26H25N7OS
• Molecular Weight: 483.60 g/mol
• Exact Mass: 483.18
• IUPAC Name: N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• SMILES: CCNCc1cccc2ncc(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)n12
• InChI: InChI=1S/C26H25N7OS/c1-2-28-14-19-6-5-9-24-29-15-23(33(19)24)22-16-35-26(32-22)30-18-12-10-17(11-13-18)25(34)31-21-8-4-3-7-20(21)27/h3-13,15-16,28H,2,14,27H2,1H3,(H,30,32)(H,31,34)
• InChIKey: KJMJMWSAKPTSLB-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 109.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.60
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 58163728) is N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)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-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is CCNCc1cccc2ncc(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)n12.

What is the InChIKey of N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The InChIKey is KJMJMWSAKPTSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7OS/c1-2-28-14-19-6-5-9-24-29-15-23(33(19)24)22-16-35-26(32-22)30-18-12-10-17(11-13-18)25(34)31-21-8-4-3-7-20(21)27/h3-13,15-16,28H,2,14,27H2,1H3,(H,30,32)(H,31,34).

What are the key properties of N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 483.60 g/mol, XLogP of 5.15, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 58163728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).