2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

C22H26N2O3S — CID 41342638

About 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 41342638) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
• PubChem CID: 41342638
• Molecular Formula: C22H26N2O3S
• Molecular Weight: 398.53 g/mol
• Exact Mass: 398.17
• IUPAC Name: 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
• SMILES: CCOc1ccc2c(c1)s/c(=N\C(=O)Cc1cc(C)ccc1C)n2CCOC
• InChI: InChI=1S/C22H26N2O3S/c1-5-27-18-8-9-19-20(14-18)28-22(24(19)10-11-26-4)23-21(25)13-17-12-15(2)6-7-16(17)3/h6-9,12,14H,5,10-11,13H2,1-4H3/b23-22-
• InChIKey: BVUHQOWYQPLLIU-FCQUAONHSA-N
• XLogP: 4.03
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.53
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?

The IUPAC name of 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (CID 41342638) is 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?

The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is CCOc1ccc2c(c1)s/c(=N\C(=O)Cc1cc(C)ccc1C)n2CCOC.

What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?

The InChIKey is BVUHQOWYQPLLIU-FCQUAONHSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-5-27-18-8-9-19-20(14-18)28-22(24(19)10-11-26-4)23-21(25)13-17-12-15(2)6-7-16(17)3/h6-9,12,14H,5,10-11,13H2,1-4H3/b23-22-.

What are the key properties of 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?

2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 398.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylphenyl)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 41342638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).