2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

C25H24N4O4S — CID 50839605

About 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 50839605) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
• PubChem CID: 50839605
• Molecular Formula: C25H24N4O4S
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.15
• IUPAC Name: 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
• SMILES: CCOc1ccccc1C(=O)Nc1cccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)c1
• InChI: InChI=1S/C25H24N4O4S/c1-2-33-22-9-4-3-8-19(22)23(30)26-18-7-5-6-17(14-18)20-15-29-21(16-34-25(29)27-20)24(31)28-10-12-32-13-11-28/h3-9,14-16H,2,10-13H2,1H3,(H,26,30)
• InChIKey: WIAXGDLRKALJBK-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?

The IUPAC name of 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 50839605) is 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

What is the SMILES notation for 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?

The canonical SMILES for 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)c1.

What is the InChIKey of 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?

The InChIKey is WIAXGDLRKALJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-2-33-22-9-4-3-8-19(22)23(30)26-18-7-5-6-17(14-18)20-15-29-21(16-34-25(29)27-20)24(31)28-10-12-32-13-11-28/h3-9,14-16H,2,10-13H2,1H3,(H,26,30).

What are the key properties of 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?

2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 476.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 50839605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).