N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide

C25H23F2N3OS — CID 43959196

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide (PubChem CID 43959196) has the molecular formula C25H23F2N3OS and a molecular weight of 451.54 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
• PubChem CID: 43959196
• Molecular Formula: C25H23F2N3OS
• Molecular Weight: 451.54 g/mol
• Exact Mass: 451.15
• IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
• SMILES: CN(C)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2c(F)cc(F)cc2s1
• InChI: InChI=1S/C25H23F2N3OS/c1-29(2)13-14-30(25-28-23-20(27)15-19(26)16-21(23)32-25)24(31)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,22H,13-14H2,1-2H3
• InChIKey: DZPFVVUTVWCILQ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.54
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide (CID 43959196) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide.

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

The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide is CN(C)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2c(F)cc(F)cc2s1.

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

The InChIKey is DZPFVVUTVWCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3OS/c1-29(2)13-14-30(25-28-23-20(27)15-19(26)16-21(23)32-25)24(31)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,22H,13-14H2,1-2H3.

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide has a molecular weight of 451.54 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 43959196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).