2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C23H23N5O3S — CID 43987463

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43987463) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 43987463
• Molecular Formula: C23H23N5O3S
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.15
• IUPAC Name: 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)Cn3cnc(C)c(C)c3=O)nc12
• InChI: InChI=1S/C23H23N5O3S/c1-14-8-9-18(31-4)20-21(14)32-23(26-20)28(11-17-7-5-6-10-24-17)19(29)12-27-13-25-16(3)15(2)22(27)30/h5-10,13H,11-12H2,1-4H3
• InChIKey: XKEZEJXAWSCTIO-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 90.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 43987463) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)Cn3cnc(C)c(C)c3=O)nc12.

What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is XKEZEJXAWSCTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-14-8-9-18(31-4)20-21(14)32-23(26-20)28(11-17-7-5-6-10-24-17)19(29)12-27-13-25-16(3)15(2)22(27)30/h5-10,13H,11-12H2,1-4H3.

What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 449.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43987463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).