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

C8H11F3N2S — CID 43669978

IUPAC2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2S/c1-5(12-4-8(9,10)11)7-3-14-6(2)13-7/h3,5,12H,4H2,1-2H3
InChIKeyDUJVJOFAWITRPL-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.66
Rot. Bonds3

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

2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 43669978) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID43669978
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2S/c1-5(12-4-8(9,10)11)7-3-14-6(2)13-7/h3,5,12H,4H2,1-2H3
InChIKeyDUJVJOFAWITRPL-UHFFFAOYSA-N
XLogP2.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 43669978) is 2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)NCC(F)(F)F)cs1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is DUJVJOFAWITRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-5(12-4-8(9,10)11)7-3-14-6(2)13-7/h3,5,12H,4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43669978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).