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

C18H12F3N5OS — CID 153337946

IUPACN-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(CN(c3ccccn3)c3ccccn3)s2)no1
InChIInChI=1S/C18H12F3N5OS/c19-18(20,21)17-24-16(25-27-17)13-8-7-12(28-13)11-26(14-5-1-3-9-22-14)15-6-2-4-10-23-15/h1-10H,11H2
InChIKeyPPSYYKNYHJBPEX-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.95
Rot. Bonds5

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

N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine (PubChem CID 153337946) has the molecular formula C18H12F3N5OS and a molecular weight of 403.39 g/mol. Its IUPAC name is N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine
PubChem CID153337946
Molecular FormulaC18H12F3N5OS
Molecular Weight403.39 g/mol
Exact Mass403.07
IUPAC NameN-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(CN(c3ccccn3)c3ccccn3)s2)no1
InChIInChI=1S/C18H12F3N5OS/c19-18(20,21)17-24-16(25-27-17)13-8-7-12(28-13)11-26(14-5-1-3-9-22-14)15-6-2-4-10-23-15/h1-10H,11H2
InChIKeyPPSYYKNYHJBPEX-UHFFFAOYSA-N
XLogP4.95
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine?
The IUPAC name of N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine (CID 153337946) is N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine is FC(F)(F)c1nc(-c2ccc(CN(c3ccccn3)c3ccccn3)s2)no1.
What is the InChIKey of N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine?
The InChIKey is PPSYYKNYHJBPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5OS/c19-18(20,21)17-24-16(25-27-17)13-8-7-12(28-13)11-26(14-5-1-3-9-22-14)15-6-2-4-10-23-15/h1-10H,11H2.
What are the key properties of N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine?
N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine has a molecular weight of 403.39 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 153337946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).