1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

C12H10F4N2S — CID 78921086

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2nccs2)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F4N2S/c13-9-2-1-8(10(5-9)12(14,15)16)6-17-7-11-18-3-4-19-11/h1-5,17H,6-7H2
InChIKeyRZQLSDSKQNWCJW-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.59
Rot. Bonds4

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 78921086) has the molecular formula C12H10F4N2S and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID78921086
Molecular FormulaC12H10F4N2S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2nccs2)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F4N2S/c13-9-2-1-8(10(5-9)12(14,15)16)6-17-7-11-18-3-4-19-11/h1-5,17H,6-7H2
InChIKeyRZQLSDSKQNWCJW-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

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588751
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine
CID 78921732
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 115282781
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 78921852
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 86782852
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921126
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 113465470
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 119110043
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 78921086) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is Fc1ccc(CNCc2nccs2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is RZQLSDSKQNWCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2S/c13-9-2-1-8(10(5-9)12(14,15)16)6-17-7-11-18-3-4-19-11/h1-5,17H,6-7H2.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[4-fluoro-2-(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-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 78921086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).