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

C13H15F3N2O2S — CID 56788628

IUPAC2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(Cc1csc(-c2ccoc2)n1)CC(F)(F)F
InChIInChI=1S/C13H15F3N2O2S/c1-19-5-3-18(9-13(14,15)16)6-11-8-21-12(17-11)10-2-4-20-7-10/h2,4,7-8H,3,5-6,9H2,1H3
InChIKeyKFYHTBGDXLQAEC-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.41
Rot. Bonds7

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

2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine (PubChem CID 56788628) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine
PubChem CID56788628
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC Name2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(Cc1csc(-c2ccoc2)n1)CC(F)(F)F
InChIInChI=1S/C13H15F3N2O2S/c1-19-5-3-18(9-13(14,15)16)6-11-8-21-12(17-11)10-2-4-20-7-10/h2,4,7-8H,3,5-6,9H2,1H3
InChIKeyKFYHTBGDXLQAEC-UHFFFAOYSA-N
XLogP3.41
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine (CID 56788628) is 2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine is COCCN(Cc1csc(-c2ccoc2)n1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is KFYHTBGDXLQAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c1-19-5-3-18(9-13(14,15)16)6-11-8-21-12(17-11)10-2-4-20-7-10/h2,4,7-8H,3,5-6,9H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine?
2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 320.34 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 56788628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).