2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H23N5O4S — CID 20942936

About 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20942936) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 20942936
• Molecular Formula: C17H23N5O4S
• Molecular Weight: 393.47 g/mol
• Exact Mass: 393.15
• IUPAC Name: 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: CCN(CC)c1nn2c(=O)c(C(=O)N3CCC4(CC3)OCCO4)cnc2s1
• InChI: InChI=1S/C17H23N5O4S/c1-3-20(4-2)16-19-22-14(24)12(11-18-15(22)27-16)13(23)21-7-5-17(6-8-21)25-9-10-26-17/h11H,3-10H2,1-2H3
• InChIKey: JBFPZKGVFSOQQT-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 89.27 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.47
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20942936) is 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCN(CC)c1nn2c(=O)c(C(=O)N3CCC4(CC3)OCCO4)cnc2s1.

What is the InChIKey of 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is JBFPZKGVFSOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-3-20(4-2)16-19-22-14(24)12(11-18-15(22)27-16)13(23)21-7-5-17(6-8-21)25-9-10-26-17/h11H,3-10H2,1-2H3.

What are the key properties of 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 393.47 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20942936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).