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

C13H12BrF3N2S — CID 106782998

IUPACN-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H12BrF3N2S/c1-2-18-11(8-3-5-9(14)6-4-8)10-7-19-12(20-10)13(15,16)17/h3-7,11,18H,2H2,1H3
InChIKeyWWEFFKXPRAJAGW-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.62
Rot. Bonds4

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

N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106782998) has the molecular formula C13H12BrF3N2S and a molecular weight of 365.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106782998
Molecular FormulaC13H12BrF3N2S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC NameN-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H12BrF3N2S/c1-2-18-11(8-3-5-9(14)6-4-8)10-7-19-12(20-10)13(15,16)17/h3-7,11,18H,2H2,1H3
InChIKeyWWEFFKXPRAJAGW-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106782998) is N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is WWEFFKXPRAJAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2S/c1-2-18-11(8-3-5-9(14)6-4-8)10-7-19-12(20-10)13(15,16)17/h3-7,11,18H,2H2,1H3.
What are the key properties of N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 365.22 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106782998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).