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

C25H25N3O4S — CID 53092411

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

2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide (PubChem CID 53092411) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
• PubChem CID: 53092411
• Molecular Formula: C25H25N3O4S
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.16
• IUPAC Name: 2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
• SMILES: Cc1ccc(OCc2cc(=O)n3cc(C)sc3n2)c(NC(=O)COc2ccc(C)c(C)c2)c1
• InChI: InChI=1S/C25H25N3O4S/c1-15-5-8-22(32-13-19-11-24(30)28-12-18(4)33-25(28)26-19)21(9-15)27-23(29)14-31-20-7-6-16(2)17(3)10-20/h5-12H,13-14H2,1-4H3,(H,27,29)
• InChIKey: LZTDSIZJUNFWMU-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide (CID 53092411) is 2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide.

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

The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide is Cc1ccc(OCc2cc(=O)n3cc(C)sc3n2)c(NC(=O)COc2ccc(C)c(C)c2)c1.

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

The InChIKey is LZTDSIZJUNFWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-15-5-8-22(32-13-19-11-24(30)28-12-18(4)33-25(28)26-19)21(9-15)27-23(29)14-31-20-7-6-16(2)17(3)10-20/h5-12H,13-14H2,1-4H3,(H,27,29).

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

2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 53092411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).