N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

C22H19ClN2O2S — CID 3597232

About N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (PubChem CID 3597232) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
• PubChem CID: 3597232
• Molecular Formula: C22H19ClN2O2S
• Molecular Weight: 410.93 g/mol
• Exact Mass: 410.09
• IUPAC Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
• SMILES: COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(Cl)ccc21
• InChI: InChI=1S/C22H19ClN2O2S/c1-27-12-11-25-19-10-9-17(23)14-20(19)28-22(25)24-21(26)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,14H,11-13H2,1H3/b24-22-
• InChIKey: FLLDXVGVPOOHOL-GYHWCHFESA-N
• XLogP: 4.83
• 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	410.93
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (CID 3597232) is N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(Cl)ccc21.

What is the InChIKey of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?

The InChIKey is FLLDXVGVPOOHOL-GYHWCHFESA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-27-12-11-25-19-10-9-17(23)14-20(19)28-22(25)24-21(26)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,14H,11-13H2,1H3/b24-22-.

What are the key properties of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide has a molecular weight of 410.93 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3597232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).