2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

C22H24FN3O3S — CID 43997282

About 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 43997282) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 43997282
• Molecular Formula: C22H24FN3O3S
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.15
• IUPAC Name: 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: Cc1ccc2nc(N(CCN3CCOCC3)C(=O)COc3ccccc3F)sc2c1
• InChI: InChI=1S/C22H24FN3O3S/c1-16-6-7-18-20(14-16)30-22(24-18)26(9-8-25-10-12-28-13-11-25)21(27)15-29-19-5-3-2-4-17(19)23/h2-7,14H,8-13,15H2,1H3
• InChIKey: MFHLIBFXJJRSEO-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?

The IUPAC name of 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 43997282) is 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.

What is the SMILES notation for 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?

The canonical SMILES for 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccc2nc(N(CCN3CCOCC3)C(=O)COc3ccccc3F)sc2c1.

What is the InChIKey of 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?

The InChIKey is MFHLIBFXJJRSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-16-6-7-18-20(14-16)30-22(24-18)26(9-8-25-10-12-28-13-11-25)21(27)15-29-19-5-3-2-4-17(19)23/h2-7,14H,8-13,15H2,1H3.

What are the key properties of 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?

2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 43997282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).