1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine

C9H13F3N2OS — CID 103150136

IUPAC1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N2OS/c1-6(13)7-4-16-8(14-7)2-3-15-5-9(10,11)12/h4,6H,2-3,5,13H2,1H3
InChIKeyDPRUXPPWJXPTHC-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine

1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 103150136) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID103150136
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N2OS/c1-6(13)7-4-16-8(14-7)2-3-15-5-9(10,11)12/h4,6H,2-3,5,13H2,1H3
InChIKeyDPRUXPPWJXPTHC-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine (CID 103150136) is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is DPRUXPPWJXPTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-6(13)7-4-16-8(14-7)2-3-15-5-9(10,11)12/h4,6H,2-3,5,13H2,1H3.
What are the key properties of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 254.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 103150136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).