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

C11H8BrF3N2S — CID 106782982

IUPAC(3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cccc(Br)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H8BrF3N2S/c12-7-3-1-2-6(4-7)9(16)8-5-17-10(18-8)11(13,14)15/h1-5,9H,16H2
InChIKeyJPYOXUNOVTZKAD-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.97
Rot. Bonds2

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

(3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106782982) has the molecular formula C11H8BrF3N2S and a molecular weight of 337.16 g/mol. Its IUPAC name is (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106782982
Molecular FormulaC11H8BrF3N2S
Molecular Weight337.16 g/mol
Exact Mass335.95
IUPAC Name(3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cccc(Br)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H8BrF3N2S/c12-7-3-1-2-6(4-7)9(16)8-5-17-10(18-8)11(13,14)15/h1-5,9H,16H2
InChIKeyJPYOXUNOVTZKAD-UHFFFAOYSA-N
XLogP3.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine 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 (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106782982) is (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1cccc(Br)c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is JPYOXUNOVTZKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2S/c12-7-3-1-2-6(4-7)9(16)8-5-17-10(18-8)11(13,14)15/h1-5,9H,16H2.
What are the key properties of (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 337.16 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106782982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).