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

C18H20N4O3S — CID 20874313

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

N-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide (PubChem CID 20874313) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
• PubChem CID: 20874313
• Molecular Formula: C18H20N4O3S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.13
• IUPAC Name: N-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
• SMILES: CCCCc1nn2c(=O)cc(COc3ccc(NC(C)=O)cc3)nc2s1
• InChI: InChI=1S/C18H20N4O3S/c1-3-4-5-16-21-22-17(24)10-14(20-18(22)26-16)11-25-15-8-6-13(7-9-15)19-12(2)23/h6-10H,3-5,11H2,1-2H3,(H,19,23)
• InChIKey: MINFWIKGULJFMS-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-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide?

The IUPAC name of N-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide (CID 20874313) is N-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide.

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

The canonical SMILES for N-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide is CCCCc1nn2c(=O)cc(COc3ccc(NC(C)=O)cc3)nc2s1.

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

The InChIKey is MINFWIKGULJFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-4-5-16-21-22-17(24)10-14(20-18(22)26-16)11-25-15-8-6-13(7-9-15)19-12(2)23/h6-10H,3-5,11H2,1-2H3,(H,19,23).

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

N-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide 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-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 20874313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).