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

C22H18FN3O3S — CID 53092391

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

4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide (PubChem CID 53092391) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
• PubChem CID: 53092391
• Molecular Formula: C22H18FN3O3S
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.11
• IUPAC Name: 4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
• SMILES: Cc1ccc(OCc2cc(=O)n3cc(C)sc3n2)c(NC(=O)c2ccc(F)cc2)c1
• InChI: InChI=1S/C22H18FN3O3S/c1-13-3-8-19(18(9-13)25-21(28)15-4-6-16(23)7-5-15)29-12-17-10-20(27)26-11-14(2)30-22(26)24-17/h3-11H,12H2,1-2H3,(H,25,28)
• InChIKey: SBQBHJJLZMPHPQ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide (CID 53092391) is 4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide.

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

The canonical SMILES for 4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide is Cc1ccc(OCc2cc(=O)n3cc(C)sc3n2)c(NC(=O)c2ccc(F)cc2)c1.

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

The InChIKey is SBQBHJJLZMPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-13-3-8-19(18(9-13)25-21(28)15-4-6-16(23)7-5-15)29-12-17-10-20(27)26-11-14(2)30-22(26)24-17/h3-11H,12H2,1-2H3,(H,25,28).

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

4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide has a molecular weight of 423.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 53092391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).