1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride

C7H10ClF3N2OS — CID 135377683

IUPAC1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1cnc(OCC(F)(F)F)s1.Cl
InChIInChI=1S/C7H9F3N2OS.ClH/c1-4(11)5-2-12-6(14-5)13-3-7(8,9)10;/h2,4H,3,11H2,1H3;1H
InChIKeyPSTXMMZMYBPRBA-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.53
Rot. Bonds3

About 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride

1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride (PubChem CID 135377683) has the molecular formula C7H10ClF3N2OS and a molecular weight of 262.68 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
PubChem CID135377683
Molecular FormulaC7H10ClF3N2OS
Molecular Weight262.68 g/mol
Exact Mass262.02
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1cnc(OCC(F)(F)F)s1.Cl
InChIInChI=1S/C7H9F3N2OS.ClH/c1-4(11)5-2-12-6(14-5)13-3-7(8,9)10;/h2,4H,3,11H2,1H3;1H
InChIKeyPSTXMMZMYBPRBA-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride (CID 135377683) is 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride is CC(N)c1cnc(OCC(F)(F)F)s1.Cl.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride?
The InChIKey is PSTXMMZMYBPRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS.ClH/c1-4(11)5-2-12-6(14-5)13-3-7(8,9)10;/h2,4H,3,11H2,1H3;1H.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride?
1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride has a molecular weight of 262.68 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 135377683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).