4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline

C11H8BrF3N2S — CID 55109861

IUPAC4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCc1cncs1
InChIInChI=1S/C11H8BrF3N2S/c12-7-1-2-10(9(3-7)11(13,14)15)17-5-8-4-16-6-18-8/h1-4,6,17H,5H2
InChIKeyVFFFDJSSXNJUFX-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.54
Rot. Bonds3

About 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline

4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 55109861) has the molecular formula C11H8BrF3N2S and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID55109861
Molecular FormulaC11H8BrF3N2S
Molecular Weight337.16 g/mol
Exact Mass335.95
IUPAC Name4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCc1cncs1
InChIInChI=1S/C11H8BrF3N2S/c12-7-1-2-10(9(3-7)11(13,14)15)17-5-8-4-16-6-18-8/h1-4,6,17H,5H2
InChIKeyVFFFDJSSXNJUFX-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline 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 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline (CID 55109861) is 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1cc(Br)ccc1NCc1cncs1.
What is the InChIKey of 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is VFFFDJSSXNJUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2S/c12-7-1-2-10(9(3-7)11(13,14)15)17-5-8-4-16-6-18-8/h1-4,6,17H,5H2.
What are the key properties of 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 337.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 55109861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).