N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

C23H22N2O2S — CID 40888534

About N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (PubChem CID 40888534) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
• PubChem CID: 40888534
• Molecular Formula: C23H22N2O2S
• Molecular Weight: 390.51 g/mol
• Exact Mass: 390.14
• IUPAC Name: N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
• SMILES: COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cccc(C)c21
• InChI: InChI=1S/C23H22N2O2S/c1-16-7-5-12-20-22(16)25(13-14-27-2)23(28-20)24-21(26)15-18-10-6-9-17-8-3-4-11-19(17)18/h3-12H,13-15H2,1-2H3/b24-23-
• InChIKey: ZUXUYQTZBFUFGZ-VHXPQNKSSA-N
• XLogP: 4.48
• TPSA: 43.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.51
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (CID 40888534) is N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cccc(C)c21.

What is the InChIKey of N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?

The InChIKey is ZUXUYQTZBFUFGZ-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16-7-5-12-20-22(16)25(13-14-27-2)23(28-20)24-21(26)15-18-10-6-9-17-8-3-4-11-19(17)18/h3-12H,13-15H2,1-2H3/b24-23-.

What are the key properties of N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?

N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide has a molecular weight of 390.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 40888534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).