3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine

C53H39BrClF6N19O5S2 — CID 158852030

About 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine

3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine (PubChem CID 158852030) has the molecular formula C53H39BrClF6N19O5S2 and a molecular weight of 1315.50 g/mol. Its IUPAC name is 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine
• PubChem CID: 158852030
• Molecular Formula: C53H39BrClF6N19O5S2
• Molecular Weight: 1315.50 g/mol
• Exact Mass: 1313.16
• IUPAC Name: 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine
• SMILES: C.Clc1cnc(-c2ccco2)cn1.FC(F)(F)c1nc(-c2ccc(CBr)s2)no1.FC(F)(F)c1nc(-c2ccc(CN(c3cnccn3)c3cnc(-c4ccco4)cn3)s2)no1.Nc1cnccn1.c1coc(-c2cnc(Nc3cnccn3)cn2)c1
• InChI: InChI=1S/C20H12F3N7O2S.C12H9N5O.C8H4BrF3N2OS.C8H5ClN2O.C4H5N3.CH4/c21-20(22,23)19-28-18(29-32-19)15-4-3-12(33-15)11-30(16-9-24-5-6-25-16)17-10-26-13(8-27-17)14-2-1-7-31-14;1-2-10(18-5-1)9-6-16-12(8-15-9)17-11-7-13-3-4-14-11;9-3-4-1-2-5(16-4)6-13-7(15-14-6)8(10,11)12;9-8-5-10-6(4-11-8)7-2-1-3-12-7;5-4-3-6-1-2-7-4;/h1-10H,11H2;1-8H,(H,14,16,17);1-2H,3H2;1-5H;1-3H,(H2,5,7);1H4
• InChIKey: IZOPVCYVGUNCOP-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 313.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.50
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine?

The IUPAC name of 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine (CID 158852030) is 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine.

What is the SMILES notation for 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine?

The canonical SMILES for 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine is C.Clc1cnc(-c2ccco2)cn1.FC(F)(F)c1nc(-c2ccc(CBr)s2)no1.FC(F)(F)c1nc(-c2ccc(CN(c3cnccn3)c3cnc(-c4ccco4)cn3)s2)no1.Nc1cnccn1.c1coc(-c2cnc(Nc3cnccn3)cn2)c1.

What is the InChIKey of 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine?

The InChIKey is IZOPVCYVGUNCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N7O2S.C12H9N5O.C8H4BrF3N2OS.C8H5ClN2O.C4H5N3.CH4/c21-20(22,23)19-28-18(29-32-19)15-4-3-12(33-15)11-30(16-9-24-5-6-25-16)17-10-26-13(8-27-17)14-2-1-7-31-14;1-2-10(18-5-1)9-6-16-12(8-15-9)17-11-7-13-3-4-14-11;9-3-4-1-2-5(16-4)6-13-7(15-14-6)8(10,11)12;9-8-5-10-6(4-11-8)7-2-1-3-12-7;5-4-3-6-1-2-7-4;/h1-10H,11H2;1-8H,(H,14,16,17);1-2H,3H2;1-5H;1-3H,(H2,5,7);1H4.

What are the key properties of 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine?

3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine has a molecular weight of 1315.50 g/mol, XLogP of 14.06, 12 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2-chloro-5-(furan-2-yl)pyrazine;5-(furan-2-yl)-N-pyrazin-2-ylpyrazin-2-amine;5-(furan-2-yl)-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine;methane;pyrazin-2-amine is sourced from PubChem (CID 158852030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).