4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C₁₆H₁₆N₄O₂S — CID 66780027

About 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780027) has the molecular formula C₁₆H₁₆N₄O₂S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
• PubChem CID: 66780027
• Molecular Formula: C₁₆H₁₆N₄O₂S
• Molecular Weight: 328.40 g/mol
• Exact Mass: 328.10
• IUPAC Name: 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
• SMILES: O=c1ncn(Cc2ccccc2)c2nc(N3CCOCC3)sc12
• InChI: InChI=1S/C16H16N4O2S/c21-15-13-14(18-16(23-13)19-6-8-22-9-7-19)20(11-17-15)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2
• InChIKey: OMCAJEKCFXIKMN-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.40
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?

The IUPAC name of 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780027) is 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

What is the SMILES notation for 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?

The canonical SMILES for 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1ncn(Cc2ccccc2)c2nc(N3CCOCC3)sc12.

What is the InChIKey of 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?

The InChIKey is OMCAJEKCFXIKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-15-13-14(18-16(23-13)19-6-8-22-9-7-19)20(11-17-15)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2.

What are the key properties of 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?

4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 328.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66780027 — identifiers, structure, computed properties (public domain)

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