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

C26H26ClN3OS — CID 43963059

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

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide (PubChem CID 43963059) has the molecular formula C26H26ClN3OS and a molecular weight of 464.03 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
• PubChem CID: 43963059
• Molecular Formula: C26H26ClN3OS
• Molecular Weight: 464.03 g/mol
• Exact Mass: 463.15
• IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
• SMILES: Cc1cc(Cl)cc2sc(N(CCN(C)C)C(=O)C(c3ccccc3)c3ccccc3)nc12
• InChI: InChI=1S/C26H26ClN3OS/c1-18-16-21(27)17-22-24(18)28-26(32-22)30(15-14-29(2)3)25(31)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-17,23H,14-15H2,1-3H3
• InChIKey: GPJKDJUXCOQRBX-UHFFFAOYSA-N
• XLogP: 5.98
• 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	464.03
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide (CID 43963059) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide.

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

The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide is Cc1cc(Cl)cc2sc(N(CCN(C)C)C(=O)C(c3ccccc3)c3ccccc3)nc12.

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

The InChIKey is GPJKDJUXCOQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3OS/c1-18-16-21(27)17-22-24(18)28-26(32-22)30(15-14-29(2)3)25(31)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-17,23H,14-15H2,1-3H3.

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

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide has a molecular weight of 464.03 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 43963059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).