2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

C14H10F3N5O2S — CID 121019691

About 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 121019691) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 121019691
• Molecular Formula: C14H10F3N5O2S
• Molecular Weight: 369.33 g/mol
• Exact Mass: 369.05
• IUPAC Name: 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccc2nsnc2c1)N1CCC(c2noc(C(F)(F)F)n2)C1
• InChI: InChI=1S/C14H10F3N5O2S/c15-14(16,17)13-18-11(19-24-13)8-3-4-22(6-8)12(23)7-1-2-9-10(5-7)21-25-20-9/h1-2,5,8H,3-4,6H2
• InChIKey: LKUVEQACIDWYHF-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 85.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.33
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 121019691) is 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is O=C(c1ccc2nsnc2c1)N1CCC(c2noc(C(F)(F)F)n2)C1.

What is the InChIKey of 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

The InChIKey is LKUVEQACIDWYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c15-14(16,17)13-18-11(19-24-13)8-3-4-22(6-8)12(23)7-1-2-9-10(5-7)21-25-20-9/h1-2,5,8H,3-4,6H2.

What are the key properties of 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 369.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121019691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).