N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C20H15F3N2S2 — CID 25217131

IUPACN-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2cc3ccsc3nc2-c2ccsc2)cc1
InChIInChI=1S/C20H15F3N2S2/c21-20(22,23)17-3-1-13(2-4-17)10-24-11-16-9-14-6-8-27-19(14)25-18(16)15-5-7-26-12-15/h1-9,12,24H,10-11H2
InChIKeyFJWAQMOGQBMLSI-UHFFFAOYSA-N
MW404.48 g/mol
LogP6.33
Rot. Bonds5

About N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 25217131) has the molecular formula C20H15F3N2S2 and a molecular weight of 404.48 g/mol. Its IUPAC name is N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID25217131
Molecular FormulaC20H15F3N2S2
Molecular Weight404.48 g/mol
Exact Mass404.06
IUPAC NameN-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2cc3ccsc3nc2-c2ccsc2)cc1
InChIInChI=1S/C20H15F3N2S2/c21-20(22,23)17-3-1-13(2-4-17)10-24-11-16-9-14-6-8-27-19(14)25-18(16)15-5-7-26-12-15/h1-9,12,24H,10-11H2
InChIKeyFJWAQMOGQBMLSI-UHFFFAOYSA-N
XLogP6.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 25217131) is N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccc(CNCc2cc3ccsc3nc2-c2ccsc2)cc1.
What is the InChIKey of N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FJWAQMOGQBMLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2S2/c21-20(22,23)17-3-1-13(2-4-17)10-24-11-16-9-14-6-8-27-19(14)25-18(16)15-5-7-26-12-15/h1-9,12,24H,10-11H2.
What are the key properties of N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 404.48 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-thiophen-3-ylthieno[2,3-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 25217131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).