N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide

C23H22N2O3S — CID 40951521

About N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (PubChem CID 40951521) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
• PubChem CID: 40951521
• Molecular Formula: C23H22N2O3S
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.14
• IUPAC Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
• SMILES: CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)c(OC)cc21
• InChI: InChI=1S/C23H22N2O3S/c1-4-25-18-13-19(27-2)20(28-3)14-21(18)29-23(25)24-22(26)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,13-14H,4,12H2,1-3H3/b24-23-
• InChIKey: YJWGEGDSESBNOJ-VHXPQNKSSA-N
• XLogP: 4.56
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?

The IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (CID 40951521) is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide is CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)c(OC)cc21.

What is the InChIKey of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?

The InChIKey is YJWGEGDSESBNOJ-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-4-25-18-13-19(27-2)20(28-3)14-21(18)29-23(25)24-22(26)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,13-14H,4,12H2,1-3H3/b24-23-.

What are the key properties of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide has a molecular weight of 406.51 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 40951521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).