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

C22H19N3O3S — CID 53092425

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

N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide (PubChem CID 53092425) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
• PubChem CID: 53092425
• Molecular Formula: C22H19N3O3S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.11
• IUPAC Name: N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
• SMILES: Cc1ccc(NC(=O)c2ccccc2)c(OCc2cc(=O)n3cc(C)sc3n2)c1
• InChI: InChI=1S/C22H19N3O3S/c1-14-8-9-18(24-21(27)16-6-4-3-5-7-16)19(10-14)28-13-17-11-20(26)25-12-15(2)29-22(25)23-17/h3-12H,13H2,1-2H3,(H,24,27)
• InChIKey: RBXUDWNOABHVLE-UHFFFAOYSA-N
• XLogP: 4.20
• 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	405.48
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide (CID 53092425) is N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide.

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

The canonical SMILES for N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)c(OCc2cc(=O)n3cc(C)sc3n2)c1.

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

The InChIKey is RBXUDWNOABHVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-8-9-18(24-21(27)16-6-4-3-5-7-16)19(10-14)28-13-17-11-20(26)25-12-15(2)29-22(25)23-17/h3-12H,13H2,1-2H3,(H,24,27).

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

N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 53092425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).