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

C19H15F3N6OS — CID 175075007

IUPACN-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESCc1ccc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)nc1C
InChIInChI=1S/C19H15F3N6OS/c1-11-3-6-15(25-12(11)2)28(16-9-23-7-8-24-16)10-13-4-5-14(30-13)17-26-18(29-27-17)19(20,21)22/h3-9H,10H2,1-2H3
InChIKeyLLXYIVHMWDGFTB-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.96
Rot. Bonds5

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

N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (PubChem CID 175075007) has the molecular formula C19H15F3N6OS and a molecular weight of 432.43 g/mol. Its IUPAC name is N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
PubChem CID175075007
Molecular FormulaC19H15F3N6OS
Molecular Weight432.43 g/mol
Exact Mass432.10
IUPAC NameN-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESCc1ccc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)nc1C
InChIInChI=1S/C19H15F3N6OS/c1-11-3-6-15(25-12(11)2)28(16-9-23-7-8-24-16)10-13-4-5-14(30-13)17-26-18(29-27-17)19(20,21)22/h3-9H,10H2,1-2H3
InChIKeyLLXYIVHMWDGFTB-UHFFFAOYSA-N
XLogP4.96
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (CID 175075007) is N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is Cc1ccc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)nc1C.
What is the InChIKey of N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The InChIKey is LLXYIVHMWDGFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6OS/c1-11-3-6-15(25-12(11)2)28(16-9-23-7-8-24-16)10-13-4-5-14(30-13)17-26-18(29-27-17)19(20,21)22/h3-9H,10H2,1-2H3.
What are the key properties of N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine has a molecular weight of 432.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 175075007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).