2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C14H14BrF3N2S — CID 106783012

IUPAC2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H14BrF3N2S/c1-2-19-11(7-9-3-5-10(15)6-4-9)12-8-20-13(21-12)14(16,17)18/h3-6,8,11,19H,2,7H2,1H3
InChIKeyUDXFRPKSQICHMR-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.82
Rot. Bonds5

About 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783012) has the molecular formula C14H14BrF3N2S and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783012
Molecular FormulaC14H14BrF3N2S
Molecular Weight379.25 g/mol
Exact Mass378.00
IUPAC Name2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H14BrF3N2S/c1-2-19-11(7-9-3-5-10(15)6-4-9)12-8-20-13(21-12)14(16,17)18/h3-6,8,11,19H,2,7H2,1H3
InChIKeyUDXFRPKSQICHMR-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783012) is 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CCNC(Cc1ccc(Br)cc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is UDXFRPKSQICHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2S/c1-2-19-11(7-9-3-5-10(15)6-4-9)12-8-20-13(21-12)14(16,17)18/h3-6,8,11,19H,2,7H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 379.25 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).