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

C7H9F3N2S — CID 46835628

IUPAC2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C(F)(F)F)sc1CCN
InChIInChI=1S/C7H9F3N2S/c1-4-5(2-3-11)13-6(12-4)7(8,9)10/h2-3,11H2,1H3
InChIKeyYPJISCIMBMCJNE-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.97
Rot. Bonds2

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

2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 46835628) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID46835628
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C(F)(F)F)sc1CCN
InChIInChI=1S/C7H9F3N2S/c1-4-5(2-3-11)13-6(12-4)7(8,9)10/h2-3,11H2,1H3
InChIKeyYPJISCIMBMCJNE-UHFFFAOYSA-N
XLogP1.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 46835628) is 2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(C(F)(F)F)sc1CCN.
What is the InChIKey of 2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is YPJISCIMBMCJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-4-5(2-3-11)13-6(12-4)7(8,9)10/h2-3,11H2,1H3.
What are the key properties of 2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 210.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 46835628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).