N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide

C20H20N4OS2 — CID 7507304

About N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide

N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 7507304) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
• PubChem CID: 7507304
• Molecular Formula: C20H20N4OS2
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.11
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
• SMILES: Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)sc2c1
• InChI: InChI=1S/C20H20N4OS2/c1-13-4-6-16-18(10-13)27-20(22-16)24(9-8-23(2)3)19(25)14-5-7-15-17(11-14)26-12-21-15/h4-7,10-12H,8-9H2,1-3H3
• InChIKey: QOTCELFHCJGYFK-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 49.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide (CID 7507304) is N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide is Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)sc2c1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide?

The InChIKey is QOTCELFHCJGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c1-13-4-6-16-18(10-13)27-20(22-16)24(9-8-23(2)3)19(25)14-5-7-15-17(11-14)26-12-21-15/h4-7,10-12H,8-9H2,1-3H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide?

N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 7507304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).