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

C20H25N3OS2 — CID 41341244

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

N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 41341244) has the molecular formula C20H25N3OS2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
• PubChem CID: 41341244
• Molecular Formula: C20H25N3OS2
• Molecular Weight: 387.57 g/mol
• Exact Mass: 387.14
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
• SMILES: CCN(CC)CCN(C(=O)Cc1cccs1)c1nc2ccc(C)cc2s1
• InChI: InChI=1S/C20H25N3OS2/c1-4-22(5-2)10-11-23(19(24)14-16-7-6-12-25-16)20-21-17-9-8-15(3)13-18(17)26-20/h6-9,12-13H,4-5,10-11,14H2,1-3H3
• InChIKey: OIIUJGMBQVHRFZ-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.57
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 41341244) is N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is CCN(CC)CCN(C(=O)Cc1cccs1)c1nc2ccc(C)cc2s1.

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

The InChIKey is OIIUJGMBQVHRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS2/c1-4-22(5-2)10-11-23(19(24)14-16-7-6-12-25-16)20-21-17-9-8-15(3)13-18(17)26-20/h6-9,12-13H,4-5,10-11,14H2,1-3H3.

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

N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 387.57 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 41341244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).