4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C25H34N4OS — CID 41344879

About 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41344879) has the molecular formula C25H34N4OS and a molecular weight of 438.64 g/mol. Its IUPAC name is 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 41344879
• Molecular Formula: C25H34N4OS
• Molecular Weight: 438.64 g/mol
• Exact Mass: 438.25
• IUPAC Name: 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(N(CC)CC)cc1)c1nc2ccc(C)cc2s1
• InChI: InChI=1S/C25H34N4OS/c1-6-27(7-2)16-17-29(25-26-22-15-10-19(5)18-23(22)31-25)24(30)20-11-13-21(14-12-20)28(8-3)9-4/h10-15,18H,6-9,16-17H2,1-5H3
• InChIKey: RLUHHYBZPCXIKO-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 39.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.64
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 41344879) is 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is CCN(CC)CCN(C(=O)c1ccc(N(CC)CC)cc1)c1nc2ccc(C)cc2s1.

What is the InChIKey of 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is RLUHHYBZPCXIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4OS/c1-6-27(7-2)16-17-29(25-26-22-15-10-19(5)18-23(22)31-25)24(30)20-11-13-21(14-12-20)28(8-3)9-4/h10-15,18H,6-9,16-17H2,1-5H3.

What are the key properties of 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?

4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 438.64 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41344879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).