2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine

C5H5F3N2S — CID 82408030

IUPAC2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine
SMILESNC(c1ccns1)C(F)(F)F
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)4(9)3-1-2-10-11-3/h1-2,4H,9H2
InChIKeyBDIZUZCDQPBRRS-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.71
Rot. Bonds1

About 2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine

2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine (PubChem CID 82408030) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine
PubChem CID82408030
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine
SMILESNC(c1ccns1)C(F)(F)F
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)4(9)3-1-2-10-11-3/h1-2,4H,9H2
InChIKeyBDIZUZCDQPBRRS-UHFFFAOYSA-N
XLogP1.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.71
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-1-(1,2-thiazol-5-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine (CID 82408030) is 2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine is NC(c1ccns1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine?
The InChIKey is BDIZUZCDQPBRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c6-5(7,8)4(9)3-1-2-10-11-3/h1-2,4H,9H2.
What are the key properties of 2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine?
2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine has a molecular weight of 182.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1,2-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82408030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).