5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole

C5H8FNS — CID 146392776

IUPAC5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole
SMILESCCC1=CNC(F)S1
InChIInChI=1S/C5H8FNS/c1-2-4-3-7-5(6)8-4/h3,5,7H,2H2,1H3
InChIKeyPRTSVGUBEMXJMZ-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.83
Rot. Bonds1

About 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole

5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole (PubChem CID 146392776) has the molecular formula C5H8FNS and a molecular weight of 133.19 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole
PubChem CID146392776
Molecular FormulaC5H8FNS
Molecular Weight133.19 g/mol
Exact Mass133.04
IUPAC Name5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole
SMILESCCC1=CNC(F)S1
InChIInChI=1S/C5H8FNS/c1-2-4-3-7-5(6)8-4/h3,5,7H,2H2,1H3
InChIKeyPRTSVGUBEMXJMZ-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 132011706
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CID 134432305
CID 134432305
CID 141781336
CID 141781336
CID 141879050
CID 141879050
CID 143886034
CID 143886034
CID 145093658
CID 145093658
CID 146619250
CID 146619250
CID 148824433
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CID 155326083
CID 155326083

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole (CID 146392776) is 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole is CCC1=CNC(F)S1.
What is the InChIKey of 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole?
The InChIKey is PRTSVGUBEMXJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNS/c1-2-4-3-7-5(6)8-4/h3,5,7H,2H2,1H3.
What are the key properties of 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole?
5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole has a molecular weight of 133.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 146392776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).