ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine

C29H27F6N9O2S2 — CID 153337919

IUPACethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESCC.CCc1ccc(-c2noc(C(F)(F)F)n2)s1.Cc1cncc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cncc(C)n2)n1
InChIInChI=1S/C18H14F3N7OS.C9H7F3N2OS.C2H6/c1-10-5-22-7-14(24-10)28(15-8-23-6-11(2)25-15)9-12-3-4-13(30-12)16-26-17(29-27-16)18(19,20)21;1-2-5-3-4-6(16-5)7-13-8(15-14-7)9(10,11)12;1-2/h3-8H,9H2,1-2H3;3-4H,2H2,1H3;1-2H3
InChIKeyYUFHVVZIMMVVQO-UHFFFAOYSA-N
MW711.72 g/mol
LogP8.76
Rot. Bonds7

About ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine

ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (PubChem CID 153337919) has the molecular formula C29H27F6N9O2S2 and a molecular weight of 711.72 g/mol. Its IUPAC name is ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Nameethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
PubChem CID153337919
Molecular FormulaC29H27F6N9O2S2
Molecular Weight711.72 g/mol
Exact Mass711.16
IUPAC Nameethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESCC.CCc1ccc(-c2noc(C(F)(F)F)n2)s1.Cc1cncc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cncc(C)n2)n1
InChIInChI=1S/C18H14F3N7OS.C9H7F3N2OS.C2H6/c1-10-5-22-7-14(24-10)28(15-8-23-6-11(2)25-15)9-12-3-4-13(30-12)16-26-17(29-27-16)18(19,20)21;1-2-5-3-4-6(16-5)7-13-8(15-14-7)9(10,11)12;1-2/h3-8H,9H2,1-2H3;3-4H,2H2,1H3;1-2H3
InChIKeyYUFHVVZIMMVVQO-UHFFFAOYSA-N
XLogP8.76
TPSA132.64 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500711.72
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The IUPAC name of ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (CID 153337919) is ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The canonical SMILES for ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is CC.CCc1ccc(-c2noc(C(F)(F)F)n2)s1.Cc1cncc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cncc(C)n2)n1.
What is the InChIKey of ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The InChIKey is YUFHVVZIMMVVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7OS.C9H7F3N2OS.C2H6/c1-10-5-22-7-14(24-10)28(15-8-23-6-11(2)25-15)9-12-3-4-13(30-12)16-26-17(29-27-16)18(19,20)21;1-2-5-3-4-6(16-5)7-13-8(15-14-7)9(10,11)12;1-2/h3-8H,9H2,1-2H3;3-4H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine has a molecular weight of 711.72 g/mol, XLogP of 8.76, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-ethylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole;6-methyl-N-(6-methylpyrazin-2-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 153337919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).