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

C16H16N4O3S — CID 20874240

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

N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide (PubChem CID 20874240) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
• PubChem CID: 20874240
• Molecular Formula: C16H16N4O3S
• Molecular Weight: 344.40 g/mol
• Exact Mass: 344.09
• IUPAC Name: N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
• SMILES: CCc1nn2c(=O)cc(COc3cccc(NC(C)=O)c3)nc2s1
• InChI: InChI=1S/C16H16N4O3S/c1-3-14-19-20-15(22)8-12(18-16(20)24-14)9-23-13-6-4-5-11(7-13)17-10(2)21/h4-8H,3,9H2,1-2H3,(H,17,21)
• InChIKey: JZYALKQLJQDCDT-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.40
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide (CID 20874240) is N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide.

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

The canonical SMILES for N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide is CCc1nn2c(=O)cc(COc3cccc(NC(C)=O)c3)nc2s1.

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

The InChIKey is JZYALKQLJQDCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-3-14-19-20-15(22)8-12(18-16(20)24-14)9-23-13-6-4-5-11(7-13)17-10(2)21/h4-8H,3,9H2,1-2H3,(H,17,21).

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

N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide has a molecular weight of 344.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 20874240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).