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

C8H11F3N2OS — CID 62545012

IUPAC2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-14-3-2-12-4-7-13-6(5-15-7)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyGJIPFZRSQJEPKU-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.90
Rot. Bonds5

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

2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62545012) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62545012
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-14-3-2-12-4-7-13-6(5-15-7)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyGJIPFZRSQJEPKU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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 2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 62545012) is 2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine is COCCNCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is GJIPFZRSQJEPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-14-3-2-12-4-7-13-6(5-15-7)8(9,10)11/h5,12H,2-4H2,1H3.
What are the key properties of 2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 240.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62545012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).