N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

C11H9F3N2S — CID 62315277

IUPACN-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCc2ccsc2)n1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)9-2-1-3-10(16-9)15-6-8-4-5-17-7-8/h1-5,7H,6H2,(H,15,16)
InChIKeyUJMCBGBOUALYSI-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.77
Rot. Bonds3

About N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 62315277) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID62315277
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC NameN-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCc2ccsc2)n1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)9-2-1-3-10(16-9)15-6-8-4-5-17-7-8/h1-5,7H,6H2,(H,15,16)
InChIKeyUJMCBGBOUALYSI-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 62315277) is N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NCc2ccsc2)n1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UJMCBGBOUALYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c12-11(13,14)9-2-1-3-10(16-9)15-6-8-4-5-17-7-8/h1-5,7H,6H2,(H,15,16).
What are the key properties of N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 258.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 62315277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).