N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C11H11F3N2S2 — CID 106782968

IUPACN-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H11F3N2S2/c1-2-15-9(7-4-3-5-17-7)8-6-16-10(18-8)11(12,13)14/h3-6,9,15H,2H2,1H3
InChIKeyRAEOXODXGPMKET-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.92
Rot. Bonds4

About N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106782968) has the molecular formula C11H11F3N2S2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106782968
Molecular FormulaC11H11F3N2S2
Molecular Weight292.35 g/mol
Exact Mass292.03
IUPAC NameN-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H11F3N2S2/c1-2-15-9(7-4-3-5-17-7)8-6-16-10(18-8)11(12,13)14/h3-6,9,15H,2H2,1H3
InChIKeyRAEOXODXGPMKET-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106782968) is N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cccs1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is RAEOXODXGPMKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S2/c1-2-15-9(7-4-3-5-17-7)8-6-16-10(18-8)11(12,13)14/h3-6,9,15H,2H2,1H3.
What are the key properties of N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 292.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106782968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).