1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine

C8H11F3N2OS — CID 82721520

IUPAC1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCCc1nc(CNOCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-2-7-13-6(4-15-7)3-12-14-5-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyZEDLXTAAILLUAH-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.29
Rot. Bonds5

About 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82721520) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82721520
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCCc1nc(CNOCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-2-7-13-6(4-15-7)3-12-14-5-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyZEDLXTAAILLUAH-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82721520) is 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine is CCc1nc(CNOCC(F)(F)F)cs1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is ZEDLXTAAILLUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-2-7-13-6(4-15-7)3-12-14-5-8(9,10)11/h4,12H,2-3,5H2,1H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 240.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82721520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).