3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C18H22N8OS — CID 128966024

About 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 128966024) has the molecular formula C18H22N8OS and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

• Compound Name: 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
• PubChem CID: 128966024
• Molecular Formula: C18H22N8OS
• Molecular Weight: 398.50 g/mol
• Exact Mass: 398.16
• IUPAC Name: 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
• SMILES: CN(C)c1nc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)ns1
• InChI: InChI=1S/C18H22N8OS/c1-25(2)17-21-14(24-28-17)10-26-9-12-4-3-5-18(12,11-26)16-22-15(23-27-16)13-8-19-6-7-20-13/h6-8,12H,3-5,9-11H2,1-2H3/t12-,18-/m1/s1
• InChIKey: KEUQGUPXIKLIRD-KZULUSFZSA-N
• XLogP: 2.00
• TPSA: 96.96 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.50
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?

The IUPAC name of 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 128966024) is 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

What is the SMILES notation for 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?

The canonical SMILES for 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)ns1.

What is the InChIKey of 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?

The InChIKey is KEUQGUPXIKLIRD-KZULUSFZSA-N. The full InChI is InChI=1S/C18H22N8OS/c1-25(2)17-21-14(24-28-17)10-26-9-12-4-3-5-18(12,11-26)16-22-15(23-27-16)13-8-19-6-7-20-13/h6-8,12H,3-5,9-11H2,1-2H3/t12-,18-/m1/s1.

What are the key properties of 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?

3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 398.50 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 128966024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).