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

C11H9F3N2S — CID 692067

IUPAC5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-16-10(15)17-9/h1-4,6H,5H2,(H2,15,16)
InChIKeyPABVEFOBZBIMQV-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.33
Rot. Bonds2

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

5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 692067) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID692067
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-16-10(15)17-9/h1-4,6H,5H2,(H2,15,16)
InChIKeyPABVEFOBZBIMQV-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[3-(trifluoromethyl)phenyl]methyl]-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-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (CID 692067) is 5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is PABVEFOBZBIMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-16-10(15)17-9/h1-4,6H,5H2,(H2,15,16).
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 258.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 692067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).