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

C22H25F2N3O2S — CID 43960987

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

N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide (PubChem CID 43960987) has the molecular formula C22H25F2N3O2S and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide
• PubChem CID: 43960987
• Molecular Formula: C22H25F2N3O2S
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide
• SMILES: CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(F)cc3F)sc2c1
• InChI: InChI=1S/C22H25F2N3O2S/c1-4-26(5-2)11-12-27(21(28)17-9-7-15(23)13-18(17)24)22-25-19-10-8-16(29-6-3)14-20(19)30-22/h7-10,13-14H,4-6,11-12H2,1-3H3
• InChIKey: VIEODFYPVQJXKU-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	4.96
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-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide (CID 43960987) is N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide is CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(F)cc3F)sc2c1.

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

The InChIKey is VIEODFYPVQJXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2S/c1-4-26(5-2)11-12-27(21(28)17-9-7-15(23)13-18(17)24)22-25-19-10-8-16(29-6-3)14-20(19)30-22/h7-10,13-14H,4-6,11-12H2,1-3H3.

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

N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide has a molecular weight of 433.52 g/mol, XLogP of 4.96, 9 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-ethoxy-1,3-benzothiazol-2-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 43960987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).