6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine

C21H19F3N8O2S2 — CID 151077234

About 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine

6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine (PubChem CID 151077234) has the molecular formula C21H19F3N8O2S2 and a molecular weight of 536.57 g/mol. Its IUPAC name is 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine
• PubChem CID: 151077234
• Molecular Formula: C21H19F3N8O2S2
• Molecular Weight: 536.57 g/mol
• Exact Mass: 536.10
• IUPAC Name: 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine
• SMILES: O=S1CCN(Cc2ccc(N(Cc3ccc(-c4noc(C(F)(F)F)n4)s3)c3cnccn3)nn2)CC1
• InChI: InChI=1S/C21H19F3N8O2S2/c22-21(23,24)20-27-19(30-34-20)16-3-2-15(35-16)13-32(18-11-25-5-6-26-18)17-4-1-14(28-29-17)12-31-7-9-36(33)10-8-31/h1-6,11H,7-10,12-13H2
• InChIKey: MJJGNJZEVBKSCO-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 114.03 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.57
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

The IUPAC name of 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine (CID 151077234) is 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine.

What is the SMILES notation for 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

The canonical SMILES for 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine is O=S1CCN(Cc2ccc(N(Cc3ccc(-c4noc(C(F)(F)F)n4)s3)c3cnccn3)nn2)CC1.

What is the InChIKey of 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

The InChIKey is MJJGNJZEVBKSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N8O2S2/c22-21(23,24)20-27-19(30-34-20)16-3-2-15(35-16)13-32(18-11-25-5-6-26-18)17-4-1-14(28-29-17)12-31-7-9-36(33)10-8-31/h1-6,11H,7-10,12-13H2.

What are the key properties of 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine has a molecular weight of 536.57 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 151077234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).