N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C20H20BrN3O3S — CID 46686639

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46686639) has the molecular formula C20H20BrN3O3S and a molecular weight of 462.37 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 46686639
• Molecular Formula: C20H20BrN3O3S
• Molecular Weight: 462.37 g/mol
• Exact Mass: 461.04
• IUPAC Name: N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
• SMILES: Cc1ccc(-c2nc(CC(=O)Nc3cc(Br)ccc3N3CCOCC3)cs2)o1
• InChI: InChI=1S/C20H20BrN3O3S/c1-13-2-5-18(27-13)20-22-15(12-28-20)11-19(25)23-16-10-14(21)3-4-17(16)24-6-8-26-9-7-24/h2-5,10,12H,6-9,11H2,1H3,(H,23,25)
• InChIKey: HWKJEWDRWIEFBQ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.37
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 46686639) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3cc(Br)ccc3N3CCOCC3)cs2)o1.

What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?

The InChIKey is HWKJEWDRWIEFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3S/c1-13-2-5-18(27-13)20-22-15(12-28-20)11-19(25)23-16-10-14(21)3-4-17(16)24-6-8-26-9-7-24/h2-5,10,12H,6-9,11H2,1H3,(H,23,25).

What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?

N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 462.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46686639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).