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

C5H7FN2S — CID 131156691

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

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

2-fluoro-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 131156691) has the molecular formula C5H7FN2S and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-fluoro-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID131156691
Molecular FormulaC5H7FN2S
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name2-fluoro-2-(1,3-thiazol-4-yl)ethanamine
SMILESNCC(F)c1cscn1
InChIInChI=1S/C5H7FN2S/c6-4(1-7)5-2-9-3-8-5/h2-4H,1,7H2
InChIKeyYTHSAZLAOVYMTL-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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Related Compounds

2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 162563915
1,3-thiazol-4-ylmethanediol
CID 59870088
bis(1,3-thiazol-4-yl)methylhydrazine
CID 130679105
1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine
CID 122628350
(1S)-2,2,2-trifluoro-1-(1,3-thiazol-4-yl)ethanol
CID 131205899
[4,4,4-trifluoro-1-(1,3-thiazol-4-yl)butyl]hydrazine
CID 105254263
[2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine
CID 105254260
N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine
CID 83819523
2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid
CID 13389287
4-amino-4-(1,3-thiazol-4-yl)butanoic acid
CID 82602298

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(1,3-thiazol-4-yl)ethanamine (CID 131156691) is 2-fluoro-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(1,3-thiazol-4-yl)ethanamine is NCC(F)c1cscn1.
What is the InChIKey of 2-fluoro-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is YTHSAZLAOVYMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2S/c6-4(1-7)5-2-9-3-8-5/h2-4H,1,7H2.
What are the key properties of 2-fluoro-2-(1,3-thiazol-4-yl)ethanamine?
2-fluoro-2-(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-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 131156691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).