N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide

C20H21ClN2O2S — CID 41019322

About N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 41019322) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide
• PubChem CID: 41019322
• Molecular Formula: C20H21ClN2O2S
• Molecular Weight: 388.92 g/mol
• Exact Mass: 388.10
• IUPAC Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide
• SMILES: COCCn1/c(=N/C(=O)Cc2ccc(C)cc2C)sc2cc(Cl)ccc21
• InChI: InChI=1S/C20H21ClN2O2S/c1-13-4-5-15(14(2)10-13)11-19(24)22-20-23(8-9-25-3)17-7-6-16(21)12-18(17)26-20/h4-7,10,12H,8-9,11H2,1-3H3/b22-20-
• InChIKey: HWYRJKOHIYALBM-XDOYNYLZSA-N
• XLogP: 4.29
• TPSA: 43.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.92
LogP ≤ 5	4.29
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-(2,4-dimethylphenyl)acetamide?

The IUPAC name of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide (CID 41019322) is N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide.

What is the SMILES notation for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide?

The canonical SMILES for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide is COCCn1/c(=N/C(=O)Cc2ccc(C)cc2C)sc2cc(Cl)ccc21.

What is the InChIKey of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide?

The InChIKey is HWYRJKOHIYALBM-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-13-4-5-15(14(2)10-13)11-19(24)22-20-23(8-9-25-3)17-7-6-16(21)12-18(17)26-20/h4-7,10,12H,8-9,11H2,1-3H3/b22-20-.

What are the key properties of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide?

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 388.92 g/mol, XLogP of 4.29, 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-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 41019322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).