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

C11H11F3N2S2 — CID 106783157

IUPACN-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(Cc1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H11F3N2S2/c1-15-8(5-7-3-2-4-17-7)9-6-16-10(18-9)11(12,13)14/h2-4,6,8,15H,5H2,1H3
InChIKeySYNHIFDGYYQGNN-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.73
Rot. Bonds4

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

N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783157) has the molecular formula C11H11F3N2S2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783157
Molecular FormulaC11H11F3N2S2
Molecular Weight292.35 g/mol
Exact Mass292.03
IUPAC NameN-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(Cc1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H11F3N2S2/c1-15-8(5-7-3-2-4-17-7)9-6-16-10(18-9)11(12,13)14/h2-4,6,8,15H,5H2,1H3
InChIKeySYNHIFDGYYQGNN-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783157) is N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CNC(Cc1cccs1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is SYNHIFDGYYQGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S2/c1-15-8(5-7-3-2-4-17-7)9-6-16-10(18-9)11(12,13)14/h2-4,6,8,15H,5H2,1H3.
What are the key properties of N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 292.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).