4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide

C17H17N3O3S — CID 90508372

About 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide

4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide (PubChem CID 90508372) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
• PubChem CID: 90508372
• Molecular Formula: C17H17N3O3S
• Molecular Weight: 343.41 g/mol
• Exact Mass: 343.10
• IUPAC Name: 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
• SMILES: COc1ccc(C(=O)NCCc2csc3nc(C)cc(=O)n23)cc1
• InChI: InChI=1S/C17H17N3O3S/c1-11-9-15(21)20-13(10-24-17(20)19-11)7-8-18-16(22)12-3-5-14(23-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,22)
• InChIKey: LMUGRQDJABLDEA-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.41
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?

The IUPAC name of 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide (CID 90508372) is 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?

The canonical SMILES for 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2csc3nc(C)cc(=O)n23)cc1.

What is the InChIKey of 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?

The InChIKey is LMUGRQDJABLDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-9-15(21)20-13(10-24-17(20)19-11)7-8-18-16(22)12-3-5-14(23-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,22).

What are the key properties of 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?

4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide has a molecular weight of 343.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide is sourced from PubChem (CID 90508372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).