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

C18H20N4O3S — CID 20874244

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

N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide (PubChem CID 20874244) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide.

Molecular Properties

• Compound Name: N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide
• PubChem CID: 20874244
• Molecular Formula: C18H20N4O3S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.13
• IUPAC Name: N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide
• SMILES: CCCC(=O)Nc1cccc(OCc2cc(=O)n3nc(CC)sc3n2)c1
• InChI: InChI=1S/C18H20N4O3S/c1-3-6-15(23)19-12-7-5-8-14(9-12)25-11-13-10-17(24)22-18(20-13)26-16(4-2)21-22/h5,7-10H,3-4,6,11H2,1-2H3,(H,19,23)
• InChIKey: HVHZVYVSBQQDDJ-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	3.03
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]butanamide?

The IUPAC name of N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide (CID 20874244) is N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide.

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

The canonical SMILES for N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide is CCCC(=O)Nc1cccc(OCc2cc(=O)n3nc(CC)sc3n2)c1.

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

The InChIKey is HVHZVYVSBQQDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-6-15(23)19-12-7-5-8-14(9-12)25-11-13-10-17(24)22-18(20-13)26-16(4-2)21-22/h5,7-10H,3-4,6,11H2,1-2H3,(H,19,23).

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

N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide has a molecular weight of 372.45 g/mol, XLogP of 3.03, 7 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]butanamide is sourced from PubChem (CID 20874244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).