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

C13H19F3N2O2S — CID 116778150

IUPACN-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(OC)CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O2S/c1-3-17-8-9-10(13(14,15)16)18-11(21-9)12(19-2)4-6-20-7-5-12/h17H,3-8H2,1-2H3
InChIKeyUQYORXLKKUGOGB-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.92
Rot. Bonds5

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

N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 116778150) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID116778150
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(OC)CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O2S/c1-3-17-8-9-10(13(14,15)16)18-11(21-9)12(19-2)4-6-20-7-5-12/h17H,3-8H2,1-2H3
InChIKeyUQYORXLKKUGOGB-UHFFFAOYSA-N
XLogP2.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 116778150) is N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2(OC)CCOCC2)nc1C(F)(F)F.
What is the InChIKey of N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is UQYORXLKKUGOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-3-17-8-9-10(13(14,15)16)18-11(21-9)12(19-2)4-6-20-7-5-12/h17H,3-8H2,1-2H3.
What are the key properties of N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 324.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 116778150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).