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

C20H18N4O3S2 — CID 20874393

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

N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide (PubChem CID 20874393) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide
• PubChem CID: 20874393
• Molecular Formula: C20H18N4O3S2
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.08
• IUPAC Name: N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide
• SMILES: CCCc1nn2c(=O)cc(COc3cccc(NC(=O)c4cccs4)c3)nc2s1
• InChI: InChI=1S/C20H18N4O3S2/c1-2-5-17-23-24-18(25)11-14(22-20(24)29-17)12-27-15-7-3-6-13(10-15)21-19(26)16-8-4-9-28-16/h3-4,6-11H,2,5,12H2,1H3,(H,21,26)
• InChIKey: UQNHKBVHMFQICC-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide (CID 20874393) is N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide is CCCc1nn2c(=O)cc(COc3cccc(NC(=O)c4cccs4)c3)nc2s1.

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

The InChIKey is UQNHKBVHMFQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-2-5-17-23-24-18(25)11-14(22-20(24)29-17)12-27-15-7-3-6-13(10-15)21-19(26)16-8-4-9-28-16/h3-4,6-11H,2,5,12H2,1H3,(H,21,26).

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

N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 20874393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).