1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C11H17F3N2OS — CID 61490310

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nc(C)c(C(C)NCCOCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2OS/c1-7(10-8(2)16-9(3)18-10)15-4-5-17-6-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyIHZAUDIATCSNAO-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.99
Rot. Bonds6

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 61490310) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID61490310
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nc(C)c(C(C)NCCOCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2OS/c1-7(10-8(2)16-9(3)18-10)15-4-5-17-6-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyIHZAUDIATCSNAO-UHFFFAOYSA-N
XLogP2.99
TPSA34.15 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 ≤ 52.99
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 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 61490310) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is Cc1nc(C)c(C(C)NCCOCC(F)(F)F)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is IHZAUDIATCSNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-7(10-8(2)16-9(3)18-10)15-4-5-17-6-11(12,13)14/h7,15H,4-6H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 282.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 61490310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).