N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C13H12F4N2S — CID 83959736

IUPACN-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(F)(F)F)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H12F4N2S/c1-2-18-7-10-11(8-3-5-9(14)6-4-8)19-12(20-10)13(15,16)17/h3-6,18H,2,7H2,1H3
InChIKeyJNGFNJJAIKMCDK-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.08
Rot. Bonds4

About N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 83959736) has the molecular formula C13H12F4N2S and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID83959736
Molecular FormulaC13H12F4N2S
Molecular Weight304.31 g/mol
Exact Mass304.07
IUPAC NameN-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(F)(F)F)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H12F4N2S/c1-2-18-7-10-11(8-3-5-9(14)6-4-8)19-12(20-10)13(15,16)17/h3-6,18H,2,7H2,1H3
InChIKeyJNGFNJJAIKMCDK-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 83959728
N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 83959800
4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 83959732
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189
N-[[4-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841337
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 10157862
N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 81174504
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43214098
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 126204500
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
CID 115976693

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 83959736) is N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C(F)(F)F)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JNGFNJJAIKMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2S/c1-2-18-7-10-11(8-3-5-9(14)6-4-8)19-12(20-10)13(15,16)17/h3-6,18H,2,7H2,1H3.
What are the key properties of N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 304.31 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 83959736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).