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

C22H24FN3O2S — CID 7622597

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

2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 7622597) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 7622597
• Molecular Formula: C22H24FN3O2S
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.16
• IUPAC Name: 2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: Cc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)sc2c1
• InChI: InChI=1S/C22H24FN3O2S/c1-16-2-7-19-20(14-16)29-22(24-19)26(9-8-25-10-12-28-13-11-25)21(27)15-17-3-5-18(23)6-4-17/h2-7,14H,8-13,15H2,1H3
• InChIKey: PQCDPVPANDBMRZ-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 7622597) is 2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.

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

The canonical SMILES for 2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)sc2c1.

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

The InChIKey is PQCDPVPANDBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-16-2-7-19-20(14-16)29-22(24-19)26(9-8-25-10-12-28-13-11-25)21(27)15-17-3-5-18(23)6-4-17/h2-7,14H,8-13,15H2,1H3.

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

2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 7622597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).