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

C17H18N4O3S — CID 20874180

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

N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide (PubChem CID 20874180) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide.

Molecular Properties

• Compound Name: N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide
• PubChem CID: 20874180
• Molecular Formula: C17H18N4O3S
• Molecular Weight: 358.42 g/mol
• Exact Mass: 358.11
• IUPAC Name: N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide
• SMILES: CCCC(=O)Nc1cccc(OCc2cc(=O)n3nc(C)sc3n2)c1
• InChI: InChI=1S/C17H18N4O3S/c1-3-5-15(22)18-12-6-4-7-14(8-12)24-10-13-9-16(23)21-17(19-13)25-11(2)20-21/h4,6-9H,3,5,10H2,1-2H3,(H,18,22)
• InChIKey: GJOQPSGVULJECC-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.42
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide (CID 20874180) is N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide.

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

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

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

The InChIKey is GJOQPSGVULJECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-5-15(22)18-12-6-4-7-14(8-12)24-10-13-9-16(23)21-17(19-13)25-11(2)20-21/h4,6-9H,3,5,10H2,1-2H3,(H,18,22).

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

N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide has a molecular weight of 358.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide is sourced from PubChem (CID 20874180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).