N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide

C19H19FN2O2S — CID 43937621

About N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide

N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide (PubChem CID 43937621) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide
• PubChem CID: 43937621
• Molecular Formula: C19H19FN2O2S
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.12
• IUPAC Name: N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide
• SMILES: COCCn1/c(=N/C(=O)Cc2cccc(C)c2)sc2cccc(F)c21
• InChI: InChI=1S/C19H19FN2O2S/c1-13-5-3-6-14(11-13)12-17(23)21-19-22(9-10-24-2)18-15(20)7-4-8-16(18)25-19/h3-8,11H,9-10,12H2,1-2H3/b21-19-
• InChIKey: WWYZBDSQDCIBOP-VZCXRCSSSA-N
• XLogP: 3.47
• TPSA: 43.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide?

The IUPAC name of N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide (CID 43937621) is N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide.

What is the SMILES notation for N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide?

The canonical SMILES for N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide is COCCn1/c(=N/C(=O)Cc2cccc(C)c2)sc2cccc(F)c21.

What is the InChIKey of N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide?

The InChIKey is WWYZBDSQDCIBOP-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-13-5-3-6-14(11-13)12-17(23)21-19-22(9-10-24-2)18-15(20)7-4-8-16(18)25-19/h3-8,11H,9-10,12H2,1-2H3/b21-19-.

What are the key properties of N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide?

N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 43937621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).