2-fluoro-1-(1,3-thiazol-4-yl)ethanamine

C5H7FN2S — CID 83815268

IUPAC2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
SMILESNC(CF)c1cscn1
InChIInChI=1S/C5H7FN2S/c6-1-4(7)5-2-9-3-8-5/h2-4H,1,7H2
InChIKeyBKVYXKYJBFZDOS-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.11
Rot. Bonds2

About 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine

2-fluoro-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 83815268) has the molecular formula C5H7FN2S and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID83815268
Molecular FormulaC5H7FN2S
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
SMILESNC(CF)c1cscn1
InChIInChI=1S/C5H7FN2S/c6-1-4(7)5-2-9-3-8-5/h2-4H,1,7H2
InChIKeyBKVYXKYJBFZDOS-UHFFFAOYSA-N
XLogP1.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine (CID 83815268) is 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine is NC(CF)c1cscn1.
What is the InChIKey of 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is BKVYXKYJBFZDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2S/c6-1-4(7)5-2-9-3-8-5/h2-4H,1,7H2.
What are the key properties of 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine?
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 146.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 83815268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).