7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H20N4O3S — CID 133477675

About 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133477675) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 133477675
• Molecular Formula: C17H20N4O3S
• Molecular Weight: 360.44 g/mol
• Exact Mass: 360.13
• IUPAC Name: 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: CCc1cc(=O)n2nc(Nc3ccc(OC(C)C)c(OC)c3)sc2n1
• InChI: InChI=1S/C17H20N4O3S/c1-5-11-9-15(22)21-17(19-11)25-16(20-21)18-12-6-7-13(24-10(2)3)14(8-12)23-4/h6-10H,5H2,1-4H3,(H,18,20)
• InChIKey: ODVHVRJMAXWPIG-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.44
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133477675) is 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(Nc3ccc(OC(C)C)c(OC)c3)sc2n1.

What is the InChIKey of 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is ODVHVRJMAXWPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-5-11-9-15(22)21-17(19-11)25-16(20-21)18-12-6-7-13(24-10(2)3)14(8-12)23-4/h6-10H,5H2,1-4H3,(H,18,20).

What are the key properties of 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 360.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-2-(3-methoxy-4-propan-2-yloxyanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133477675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).