N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

C11H17F3N2OS — CID 106784180

IUPACN-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCOCCNCC(C)Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2OS/c1-8(6-15-3-4-17-2)5-9-7-16-10(18-9)11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyXLSSQYVTEPFGFA-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.58
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106784180) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106784180
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCOCCNCC(C)Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2OS/c1-8(6-15-3-4-17-2)5-9-7-16-10(18-9)11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyXLSSQYVTEPFGFA-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.58
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 N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106784180) is N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is COCCNCC(C)Cc1cnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is XLSSQYVTEPFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-8(6-15-3-4-17-2)5-9-7-16-10(18-9)11(12,13)14/h7-8,15H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 282.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106784180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).