N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide

C22H18ClN3O4S — CID 53092245

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

N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 53092245) has the molecular formula C22H18ClN3O4S and a molecular weight of 455.92 g/mol. Its IUPAC name is N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
• PubChem CID: 53092245
• Molecular Formula: C22H18ClN3O4S
• Molecular Weight: 455.92 g/mol
• Exact Mass: 455.07
• IUPAC Name: N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
• SMILES: Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3ccsc3n2)c1
• InChI: InChI=1S/C22H18ClN3O4S/c1-14-3-2-4-17(9-14)29-13-20(27)25-18-10-15(23)5-6-19(18)30-12-16-11-21(28)26-7-8-31-22(26)24-16/h2-11H,12-13H2,1H3,(H,25,27)
• InChIKey: CEGULAHQYRHGKE-UHFFFAOYSA-N
• XLogP: 4.31
• 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	455.92
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide (CID 53092245) is N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide.

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

The canonical SMILES for N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3ccsc3n2)c1.

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

The InChIKey is CEGULAHQYRHGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4S/c1-14-3-2-4-17(9-14)29-13-20(27)25-18-10-15(23)5-6-19(18)30-12-16-11-21(28)26-7-8-31-22(26)24-16/h2-11H,12-13H2,1H3,(H,25,27).

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

N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 455.92 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 53092245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).