N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

C12H11F3N2S — CID 62880603

IUPACN-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1cncs1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)11-4-2-1-3-9(11)5-16-6-10-7-17-8-18-10/h1-4,7-8,16H,5-6H2
InChIKeyXNOVFUURXDJTDZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.45
Rot. Bonds4

About N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 62880603) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID62880603
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1cncs1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)11-4-2-1-3-9(11)5-16-6-10-7-17-8-18-10/h1-4,7-8,16H,5-6H2
InChIKeyXNOVFUURXDJTDZ-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]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 N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 62880603) is N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccccc1CNCc1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XNOVFUURXDJTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c13-12(14,15)11-4-2-1-3-9(11)5-16-6-10-7-17-8-18-10/h1-4,7-8,16H,5-6H2.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 272.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 62880603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).