2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole

C8H12FNS — CID 11412655

IUPAC2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESCC(C)/C=C(/F)C1=NCCS1
InChIInChI=1S/C8H12FNS/c1-6(2)5-7(9)8-10-3-4-11-8/h5-6H,3-4H2,1-2H3/b7-5+
InChIKeyNBRYIWCCLYXOQF-FNORWQNLSA-N
MW173.26 g/mol
LogP2.64
Rot. Bonds2

About 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole

2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole (PubChem CID 11412655) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole
PubChem CID11412655
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESCC(C)/C=C(/F)C1=NCCS1
InChIInChI=1S/C8H12FNS/c1-6(2)5-7(9)8-10-3-4-11-8/h5-6H,3-4H2,1-2H3/b7-5+
InChIKeyNBRYIWCCLYXOQF-FNORWQNLSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3,3-dimethylbut-1-enyl]-4,5-dihydro-1,3-thiazole
CID 11542847
2-Pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 91379774

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole (CID 11412655) is 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole is CC(C)/C=C(/F)C1=NCCS1.
What is the InChIKey of 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is NBRYIWCCLYXOQF-FNORWQNLSA-N. The full InChI is InChI=1S/C8H12FNS/c1-6(2)5-7(9)8-10-3-4-11-8/h5-6H,3-4H2,1-2H3/b7-5+.
What are the key properties of 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 173.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 11412655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).