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

C23H21N3O4S — CID 53092358

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

N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide (PubChem CID 53092358) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide
• PubChem CID: 53092358
• Molecular Formula: C23H21N3O4S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.13
• IUPAC Name: N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide
• SMILES: Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(NC(=O)COc2ccccc2)c1
• InChI: InChI=1S/C23H21N3O4S/c1-15-8-9-20(19(10-15)25-21(27)13-29-18-6-4-3-5-7-18)30-12-17-11-22(28)26-16(2)14-31-23(26)24-17/h3-11,14H,12-13H2,1-2H3,(H,25,27)
• InChIKey: PRYGZQGFUUNJKI-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide (CID 53092358) is N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide.

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

The canonical SMILES for N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide is Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(NC(=O)COc2ccccc2)c1.

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

The InChIKey is PRYGZQGFUUNJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-15-8-9-20(19(10-15)25-21(27)13-29-18-6-4-3-5-7-18)30-12-17-11-22(28)26-16(2)14-31-23(26)24-17/h3-11,14H,12-13H2,1-2H3,(H,25,27).

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

N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide has a molecular weight of 435.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 53092358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).