2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine

C11H17F3N2O2S — CID 102929647

IUPAC2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOCCOCCc1nc(CNCC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2O2S/c1-17-4-5-18-3-2-10-16-9(7-19-10)6-15-8-11(12,13)14/h7,15H,2-6,8H2,1H3
InChIKeyAOKWRSBIKQXRNC-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.00
Rot. Bonds9

About 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 102929647) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID102929647
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOCCOCCc1nc(CNCC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2O2S/c1-17-4-5-18-3-2-10-16-9(7-19-10)6-15-8-11(12,13)14/h7,15H,2-6,8H2,1H3
InChIKeyAOKWRSBIKQXRNC-UHFFFAOYSA-N
XLogP2.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine (CID 102929647) is 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine is COCCOCCc1nc(CNCC(F)(F)F)cs1.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is AOKWRSBIKQXRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-17-4-5-18-3-2-10-16-9(7-19-10)6-15-8-11(12,13)14/h7,15H,2-6,8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 298.33 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 102929647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).