2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium

C20H24N3O2S+ — CID 7507220

About 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium

2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium (PubChem CID 7507220) has the molecular formula C20H24N3O2S+ and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium.

Molecular Properties

• Compound Name: 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
• PubChem CID: 7507220
• Molecular Formula: C20H24N3O2S+
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.16
• IUPAC Name: 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
• SMILES: COc1cccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(C)cc3s2)c1
• InChI: InChI=1S/C20H23N3O2S/c1-14-8-9-17-18(12-14)26-20(21-17)23(11-10-22(2)3)19(24)15-6-5-7-16(13-15)25-4/h5-9,12-13H,10-11H2,1-4H3/p+1
• InChIKey: SJMHUTDUFUNHKQ-UHFFFAOYSA-O
• XLogP: 2.40
• TPSA: 46.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?

The IUPAC name of 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium (CID 7507220) is 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium.

What is the SMILES notation for 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?

The canonical SMILES for 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium is COc1cccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(C)cc3s2)c1.

What is the InChIKey of 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?

The InChIKey is SJMHUTDUFUNHKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3O2S/c1-14-8-9-17-18(12-14)26-20(21-17)23(11-10-22(2)3)19(24)15-6-5-7-16(13-15)25-4/h5-9,12-13H,10-11H2,1-4H3/p+1.

What are the key properties of 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?

2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium has a molecular weight of 370.50 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 7507220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).