2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one

C6H6FNOS — CID 126704503

IUPAC2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(F)C(=O)c1nccs1
InChIInChI=1S/C6H6FNOS/c1-4(7)5(9)6-8-2-3-10-6/h2-4H,1H3
InChIKeyWOUQQZRZEXUCGM-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.68
Rot. Bonds2

About 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one

2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 126704503) has the molecular formula C6H6FNOS and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID126704503
Molecular FormulaC6H6FNOS
Molecular Weight159.19 g/mol
Exact Mass159.02
IUPAC Name2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(F)C(=O)c1nccs1
InChIInChI=1S/C6H6FNOS/c1-4(7)5(9)6-8-2-3-10-6/h2-4H,1H3
InChIKeyWOUQQZRZEXUCGM-UHFFFAOYSA-N
XLogP1.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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acs.jmedchem.1c00409_ST.679
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2-Amino-1-(1,3-thiazol-2-yl)ethan-1-one hydrochloride
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CID 45121815
2-(Trichloroacetyl)thiazole
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one (CID 126704503) is 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one is CC(F)C(=O)c1nccs1.
What is the InChIKey of 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is WOUQQZRZEXUCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNOS/c1-4(7)5(9)6-8-2-3-10-6/h2-4H,1H3.
What are the key properties of 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one?
2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 159.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 126704503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).