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

C22H24N4O4S — CID 43962394

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

N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 43962394) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 43962394
• Molecular Formula: C22H24N4O4S
• Molecular Weight: 440.53 g/mol
• Exact Mass: 440.15
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• SMILES: COc1ccc(C)c2sc(N(CCN(C)C)C(=O)Cn3c(=O)oc4ccccc43)nc12
• InChI: InChI=1S/C22H24N4O4S/c1-14-9-10-17(29-4)19-20(14)31-21(23-19)25(12-11-24(2)3)18(27)13-26-15-7-5-6-8-16(15)30-22(26)28/h5-10H,11-13H2,1-4H3
• InChIKey: VIFYRFLJCKHJAK-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 80.81 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.53
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 43962394) is N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

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

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

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

The InChIKey is VIFYRFLJCKHJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-14-9-10-17(29-4)19-20(14)31-21(23-19)25(12-11-24(2)3)18(27)13-26-15-7-5-6-8-16(15)30-22(26)28/h5-10H,11-13H2,1-4H3.

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

N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 440.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 43962394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).