N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

C26H26FN3OS — CID 16808799

About N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (PubChem CID 16808799) has the molecular formula C26H26FN3OS and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
• PubChem CID: 16808799
• Molecular Formula: C26H26FN3OS
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.18
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
• SMILES: CN(C)CCCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2c(F)cccc2s1
• InChI: InChI=1S/C26H26FN3OS/c1-29(2)17-10-18-30(26-28-24-21(27)15-9-16-22(24)32-26)25(31)23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-9,11-16,23H,10,17-18H2,1-2H3
• InChIKey: OFXBQXFGVNZGIU-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (CID 16808799) is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.

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

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide is CN(C)CCCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2c(F)cccc2s1.

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

The InChIKey is OFXBQXFGVNZGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3OS/c1-29(2)17-10-18-30(26-28-24-21(27)15-9-16-22(24)32-26)25(31)23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-9,11-16,23H,10,17-18H2,1-2H3.

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

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide has a molecular weight of 447.58 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 16808799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).