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

C11H17F3N2O2S — CID 173218550

IUPAC2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCN(CCOC)Cc1scnc1C(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-17-5-3-16(4-6-18-2)7-9-10(11(12,13)14)15-8-19-9/h8H,3-7H2,1-2H3
InChIKeyAWMIUTNNVIYTDO-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.26
Rot. Bonds8

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

2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 173218550) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID173218550
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCN(CCOC)Cc1scnc1C(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-17-5-3-16(4-6-18-2)7-9-10(11(12,13)14)15-8-19-9/h8H,3-7H2,1-2H3
InChIKeyAWMIUTNNVIYTDO-UHFFFAOYSA-N
XLogP2.26
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 173218550) is 2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is COCCN(CCOC)Cc1scnc1C(F)(F)F.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is AWMIUTNNVIYTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-17-5-3-16(4-6-18-2)7-9-10(11(12,13)14)15-8-19-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 298.33 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 173218550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).