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

C21H16FN3O3S — CID 53043759

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

2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide (PubChem CID 53043759) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
• PubChem CID: 53043759
• Molecular Formula: C21H16FN3O3S
• Molecular Weight: 409.44 g/mol
• Exact Mass: 409.09
• IUPAC Name: 2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
• SMILES: Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1
• InChI: InChI=1S/C21H16FN3O3S/c1-13-11-25-19(26)10-15(24-21(25)29-13)12-28-16-6-4-5-14(9-16)23-20(27)17-7-2-3-8-18(17)22/h2-11H,12H2,1H3,(H,23,27)
• InChIKey: VZVABXRVAVEQCU-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.44
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide (CID 53043759) is 2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide.

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

The canonical SMILES for 2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide is Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1.

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

The InChIKey is VZVABXRVAVEQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-13-11-25-19(26)10-15(24-21(25)29-13)12-28-16-6-4-5-14(9-16)23-20(27)17-7-2-3-8-18(17)22/h2-11H,12H2,1H3,(H,23,27).

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

2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide has a molecular weight of 409.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 53043759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).