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

C12H10BrF3N2S — CID 106782345

IUPAC1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)(c1ccc(Br)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H10BrF3N2S/c1-11(17,7-2-4-8(13)5-3-7)9-6-18-10(19-9)12(14,15)16/h2-6H,17H2,1H3
InChIKeyGVKBPELPBXGCQU-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.15
Rot. Bonds2

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

1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106782345) has the molecular formula C12H10BrF3N2S and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106782345
Molecular FormulaC12H10BrF3N2S
Molecular Weight351.19 g/mol
Exact Mass349.97
IUPAC Name1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)(c1ccc(Br)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H10BrF3N2S/c1-11(17,7-2-4-8(13)5-3-7)9-6-18-10(19-9)12(14,15)16/h2-6H,17H2,1H3
InChIKeyGVKBPELPBXGCQU-UHFFFAOYSA-N
XLogP4.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]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

3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155712
2-(2-fluoropropan-2-yl)-1,3-thiazol-5-amine
CID 84764246
1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782166
(4-bromo-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783780
5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine
CID 106784187
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
CID 106784185
2-bromo-5-(1,1-difluoroethyl)-1,3-thiazole
CID 84792019
4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106784457
5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
CID 84789579

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106782345) is 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CC(N)(c1ccc(Br)cc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is GVKBPELPBXGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2S/c1-11(17,7-2-4-8(13)5-3-7)9-6-18-10(19-9)12(14,15)16/h2-6H,17H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 351.19 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106782345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).