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

C12H12BrF3N2S2 — CID 106785160

IUPACN-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1cc(C)c(Br)s1
InChIInChI=1S/C12H12BrF3N2S2/c1-3-17-9(7-4-6(2)10(13)19-7)8-5-18-11(20-8)12(14,15)16/h4-5,9,17H,3H2,1-2H3
InChIKeyOFOYAPOLVQVOKD-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.99
Rot. Bonds4

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

N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106785160) has the molecular formula C12H12BrF3N2S2 and a molecular weight of 385.27 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106785160
Molecular FormulaC12H12BrF3N2S2
Molecular Weight385.27 g/mol
Exact Mass383.96
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1cc(C)c(Br)s1
InChIInChI=1S/C12H12BrF3N2S2/c1-3-17-9(7-4-6(2)10(13)19-7)8-5-18-11(20-8)12(14,15)16/h4-5,9,17H,3H2,1-2H3
InChIKeyOFOYAPOLVQVOKD-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromo-4-methylthiophen-2-yl)-[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

Related Compounds

N-[[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53273313
1-(2-bromo-5-fluorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 54902743
1-(3-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61280425
1-(5-bromo-2-fluorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 61298683
1-(5-Bromothiophen-2-yl)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-amine
CID 61629306
N-ethyl-1-[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]ethanamine
CID 62651376
N-methyl-1-[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]ethanamine
CID 62651928
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 62690866
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62690867
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 66423103
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66424484
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66424485

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106785160) is N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cnc(C(F)(F)F)s1)c1cc(C)c(Br)s1.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is OFOYAPOLVQVOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2S2/c1-3-17-9(7-4-6(2)10(13)19-7)8-5-18-11(20-8)12(14,15)16/h4-5,9,17H,3H2,1-2H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 385.27 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106785160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).