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

C8H11F3N2S — CID 83959800

IUPACN-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N2S/c1-3-12-4-6-5(2)13-7(14-6)8(9,10)11/h12H,3-4H2,1-2H3
InChIKeyMPESTKBWZBVIHX-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.58
Rot. Bonds3

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

N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 83959800) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID83959800
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC NameN-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N2S/c1-3-12-4-6-5(2)13-7(14-6)8(9,10)11/h12H,3-4H2,1-2H3
InChIKeyMPESTKBWZBVIHX-UHFFFAOYSA-N
XLogP2.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 116777851
N-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 83959736
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63086416
N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193716
4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 83959796
2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82193761
N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432329
N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767389
N-[[2-(methylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113497294
N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676610

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 83959800) is N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C(F)(F)F)nc1C.
What is the InChIKey of N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MPESTKBWZBVIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-3-12-4-6-5(2)13-7(14-6)8(9,10)11/h12H,3-4H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 83959800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).