N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide

C22H25F2N3OS — CID 43961543

About N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide

N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide (PubChem CID 43961543) has the molecular formula C22H25F2N3OS and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide
• PubChem CID: 43961543
• Molecular Formula: C22H25F2N3OS
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.17
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide
• SMILES: CCN(CC)CCN(C(=O)Cc1cccc(C)c1)c1nc2c(F)cc(F)cc2s1
• InChI: InChI=1S/C22H25F2N3OS/c1-4-26(5-2)9-10-27(20(28)12-16-8-6-7-15(3)11-16)22-25-21-18(24)13-17(23)14-19(21)29-22/h6-8,11,13-14H,4-5,9-10,12H2,1-3H3
• InChIKey: VSLBGOAJXHCPIM-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide (CID 43961543) is N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide is CCN(CC)CCN(C(=O)Cc1cccc(C)c1)c1nc2c(F)cc(F)cc2s1.

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

The InChIKey is VSLBGOAJXHCPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3OS/c1-4-26(5-2)9-10-27(20(28)12-16-8-6-7-15(3)11-16)22-25-21-18(24)13-17(23)14-19(21)29-22/h6-8,11,13-14H,4-5,9-10,12H2,1-3H3.

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

N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 43961543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).