2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine

C11H17F3N2OS — CID 103151305

IUPAC2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
SMILESCCC(C)(N)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2OS/c1-3-10(2,15)8-6-18-9(16-8)4-5-17-7-11(12,13)14/h6H,3-5,7,15H2,1-2H3
InChIKeyRFSHNNDCYRLYBG-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine

2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine (PubChem CID 103151305) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
PubChem CID103151305
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
SMILESCCC(C)(N)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2OS/c1-3-10(2,15)8-6-18-9(16-8)4-5-17-7-11(12,13)14/h6H,3-5,7,15H2,1-2H3
InChIKeyRFSHNNDCYRLYBG-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.85
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 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine?
The IUPAC name of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine (CID 103151305) is 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine.
What is the SMILES notation for 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine?
The canonical SMILES for 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine is CCC(C)(N)c1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine?
The InChIKey is RFSHNNDCYRLYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-3-10(2,15)8-6-18-9(16-8)4-5-17-7-11(12,13)14/h6H,3-5,7,15H2,1-2H3.
What are the key properties of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine?
2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine has a molecular weight of 282.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine is sourced from PubChem (CID 103151305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).