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

C18H14F3N7O2S — CID 155793450

IUPACN-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESCOc1cncc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cncc(C)n2)n1
InChIInChI=1S/C18H14F3N7O2S/c1-10-5-22-6-13(24-10)28(14-7-23-8-15(25-14)29-2)9-11-3-4-12(31-11)16-26-17(30-27-16)18(19,20)21/h3-8H,9H2,1-2H3
InChIKeyTVJUOIQXLQMNRH-UHFFFAOYSA-N
MW449.42 g/mol
LogP4.05
Rot. Bonds6

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

N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (PubChem CID 155793450) has the molecular formula C18H14F3N7O2S and a molecular weight of 449.42 g/mol. Its IUPAC name is N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
PubChem CID155793450
Molecular FormulaC18H14F3N7O2S
Molecular Weight449.42 g/mol
Exact Mass449.09
IUPAC NameN-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESCOc1cncc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cncc(C)n2)n1
InChIInChI=1S/C18H14F3N7O2S/c1-10-5-22-6-13(24-10)28(14-7-23-8-15(25-14)29-2)9-11-3-4-12(31-11)16-26-17(30-27-16)18(19,20)21/h3-8H,9H2,1-2H3
InChIKeyTVJUOIQXLQMNRH-UHFFFAOYSA-N
XLogP4.05
TPSA102.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (CID 155793450) is N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is COc1cncc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cncc(C)n2)n1.
What is the InChIKey of N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The InChIKey is TVJUOIQXLQMNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7O2S/c1-10-5-22-6-13(24-10)28(14-7-23-8-15(25-14)29-2)9-11-3-4-12(31-11)16-26-17(30-27-16)18(19,20)21/h3-8H,9H2,1-2H3.
What are the key properties of N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine has a molecular weight of 449.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrazin-2-yl)-6-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 155793450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).