5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine

C13H12BrF3N2S — CID 63399248

IUPAC5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H12BrF3N2S/c1-2-10-11(20-12(18)19-10)5-7-3-4-8(14)6-9(7)13(15,16)17/h3-4,6H,2,5H2,1H3,(H2,18,19)
InChIKeyAVESTOYDFPMBDY-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.66
Rot. Bonds3

About 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine

5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 63399248) has the molecular formula C13H12BrF3N2S and a molecular weight of 365.22 g/mol. Its IUPAC name is 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID63399248
Molecular FormulaC13H12BrF3N2S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H12BrF3N2S/c1-2-10-11(20-12(18)19-10)5-7-3-4-8(14)6-9(7)13(15,16)17/h3-4,6H,2,5H2,1H3,(H2,18,19)
InChIKeyAVESTOYDFPMBDY-UHFFFAOYSA-N
XLogP4.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine 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 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine (CID 63399248) is 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1nc(N)sc1Cc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is AVESTOYDFPMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2S/c1-2-10-11(20-12(18)19-10)5-7-3-4-8(14)6-9(7)13(15,16)17/h3-4,6H,2,5H2,1H3,(H2,18,19).
What are the key properties of 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine?
5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 365.22 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63399248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).