2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide

C23H24N4O3S — CID 108740892

About 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide

2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 108740892) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 108740892
• Molecular Formula: C23H24N4O3S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.16
• IUPAC Name: 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
• SMILES: Cc1cc(C)c2c(CC(=O)Nc3nc4ccc(CN5CCOCC5)cc4s3)noc2c1
• InChI: InChI=1S/C23H24N4O3S/c1-14-9-15(2)22-18(26-30-19(22)10-14)12-21(28)25-23-24-17-4-3-16(11-20(17)31-23)13-27-5-7-29-8-6-27/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,24,25,28)
• InChIKey: XIEJDDNMQJIRNS-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide (CID 108740892) is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide is Cc1cc(C)c2c(CC(=O)Nc3nc4ccc(CN5CCOCC5)cc4s3)noc2c1.

What is the InChIKey of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is XIEJDDNMQJIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-14-9-15(2)22-18(26-30-19(22)10-14)12-21(28)25-23-24-17-4-3-16(11-20(17)31-23)13-27-5-7-29-8-6-27/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,24,25,28).

What are the key properties of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide?

2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 436.54 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 108740892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).