2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide

C18H19N3O3S — CID 53043741

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

2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide (PubChem CID 53043741) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide
• PubChem CID: 53043741
• Molecular Formula: C18H19N3O3S
• Molecular Weight: 357.44 g/mol
• Exact Mass: 357.11
• IUPAC Name: 2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide
• SMILES: Cc1csc2nc(COc3ccccc3NC(=O)C(C)C)cc(=O)n12
• InChI: InChI=1S/C18H19N3O3S/c1-11(2)17(23)20-14-6-4-5-7-15(14)24-9-13-8-16(22)21-12(3)10-25-18(21)19-13/h4-8,10-11H,9H2,1-3H3,(H,20,23)
• InChIKey: UWWWUYKVPIZSFQ-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.44
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide (CID 53043741) is 2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide.

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

The canonical SMILES for 2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide is Cc1csc2nc(COc3ccccc3NC(=O)C(C)C)cc(=O)n12.

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

The InChIKey is UWWWUYKVPIZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(2)17(23)20-14-6-4-5-7-15(14)24-9-13-8-16(22)21-12(3)10-25-18(21)19-13/h4-8,10-11H,9H2,1-3H3,(H,20,23).

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

2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide has a molecular weight of 357.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide is sourced from PubChem (CID 53043741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).