2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine

C6H7F3N2S — CID 62758473

IUPAC2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cncs1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)3-10-1-5-2-11-4-12-5/h2,4,10H,1,3H2
InChIKeySUWQUOZCAIZBRK-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.79
Rot. Bonds3

About 2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 62758473) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID62758473
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cncs1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)3-10-1-5-2-11-4-12-5/h2,4,10H,1,3H2
InChIKeySUWQUOZCAIZBRK-UHFFFAOYSA-N
XLogP1.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.79
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-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 62758473) is 2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine is FC(F)(F)CNCc1cncs1.
What is the InChIKey of 2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is SUWQUOZCAIZBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c7-6(8,9)3-10-1-5-2-11-4-12-5/h2,4,10H,1,3H2.
What are the key properties of 2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 196.20 g/mol, XLogP of 1.79, 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-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 62758473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).