N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C22H24N4O5S — CID 43962340

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 43962340) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 43962340
• Molecular Formula: C22H24N4O5S
• Molecular Weight: 456.52 g/mol
• Exact Mass: 456.15
• IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• SMILES: COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)Cn3c(=O)oc4ccccc43)nc12
• InChI: InChI=1S/C22H24N4O5S/c1-24(2)11-12-25(18(27)13-26-14-7-5-6-8-15(14)31-22(26)28)21-23-19-16(29-3)9-10-17(30-4)20(19)32-21/h5-10H,11-13H2,1-4H3
• InChIKey: JGRLQSHDJWPATH-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 90.04 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.52
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 43962340) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)Cn3c(=O)oc4ccccc43)nc12.

What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The InChIKey is JGRLQSHDJWPATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-24(2)11-12-25(18(27)13-26-14-7-5-6-8-15(14)31-22(26)28)21-23-19-16(29-3)9-10-17(30-4)20(19)32-21/h5-10H,11-13H2,1-4H3.

What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 456.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 43962340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).