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

C12H13F3N2S2 — CID 106783158

IUPACN-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(Cc1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N2S2/c1-2-16-9(6-8-4-3-5-18-8)10-7-17-11(19-10)12(13,14)15/h3-5,7,9,16H,2,6H2,1H3
InChIKeyJKQJXPQAHJETRK-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.12
Rot. Bonds5

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

N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783158) has the molecular formula C12H13F3N2S2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783158
Molecular FormulaC12H13F3N2S2
Molecular Weight306.38 g/mol
Exact Mass306.05
IUPAC NameN-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(Cc1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N2S2/c1-2-16-9(6-8-4-3-5-18-8)10-7-17-11(19-10)12(13,14)15/h3-5,7,9,16H,2,6H2,1H3
InChIKeyJKQJXPQAHJETRK-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783158) is N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CCNC(Cc1cccs1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is JKQJXPQAHJETRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S2/c1-2-16-9(6-8-4-3-5-18-8)10-7-17-11(19-10)12(13,14)15/h3-5,7,9,16H,2,6H2,1H3.
What are the key properties of N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 306.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).