N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

C27H29N3OS — CID 16808626

About N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (PubChem CID 16808626) has the molecular formula C27H29N3OS and a molecular weight of 443.62 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
• PubChem CID: 16808626
• Molecular Formula: C27H29N3OS
• Molecular Weight: 443.62 g/mol
• Exact Mass: 443.20
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
• SMILES: Cc1ccc2nc(N(CCCN(C)C)C(=O)C(c3ccccc3)c3ccccc3)sc2c1
• InChI: InChI=1S/C27H29N3OS/c1-20-15-16-23-24(19-20)32-27(28-23)30(18-10-17-29(2)3)26(31)25(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-16,19,25H,10,17-18H2,1-3H3
• InChIKey: PHKVDQKJUXDECE-UHFFFAOYSA-N
• XLogP: 5.72
• 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	443.62
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide (CID 16808626) is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide.

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

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide is Cc1ccc2nc(N(CCCN(C)C)C(=O)C(c3ccccc3)c3ccccc3)sc2c1.

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

The InChIKey is PHKVDQKJUXDECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3OS/c1-20-15-16-23-24(19-20)32-27(28-23)30(18-10-17-29(2)3)26(31)25(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-16,19,25H,10,17-18H2,1-3H3.

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

N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide has a molecular weight of 443.62 g/mol, XLogP of 5.72, 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-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 16808626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).