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

C12H10F4N2S — CID 115282781

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1cc(CNCc2nccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F4N2S/c13-10-4-8(3-9(5-10)12(14,15)16)6-17-7-11-18-1-2-19-11/h1-5,17H,6-7H2
InChIKeyNEUSVJVMTCNTOR-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.59
Rot. Bonds4

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

1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 115282781) has the molecular formula C12H10F4N2S and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID115282781
Molecular FormulaC12H10F4N2S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1cc(CNCc2nccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F4N2S/c13-10-4-8(3-9(5-10)12(14,15)16)6-17-7-11-18-1-2-19-11/h1-5,17H,6-7H2
InChIKeyNEUSVJVMTCNTOR-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)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 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 115282781) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is Fc1cc(CNCc2nccs2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is NEUSVJVMTCNTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2S/c13-10-4-8(3-9(5-10)12(14,15)16)6-17-7-11-18-1-2-19-11/h1-5,17H,6-7H2.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 290.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 115282781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).