2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C18H25N5OS — CID 133344309

About 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133344309) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 133344309
• Molecular Formula: C18H25N5OS
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.18
• IUPAC Name: 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: CCc1cc(=O)n2nc(N3CCN(C4CC5CCC4C5)CC3)sc2n1
• InChI: InChI=1S/C18H25N5OS/c1-2-14-11-16(24)23-17(19-14)25-18(20-23)22-7-5-21(6-8-22)15-10-12-3-4-13(15)9-12/h11-13,15H,2-10H2,1H3
• InChIKey: UEEUTITYTIOSHP-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 53.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133344309) is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(N3CCN(C4CC5CCC4C5)CC3)sc2n1.

What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is UEEUTITYTIOSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-2-14-11-16(24)23-17(19-14)25-18(20-23)22-7-5-21(6-8-22)15-10-12-3-4-13(15)9-12/h11-13,15H,2-10H2,1H3.

What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 359.50 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133344309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).