5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole

C6H6FNS — CID 155335256

IUPAC5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C/c1ncsc1F
InChIInChI=1S/C6H6FNS/c1-2-3-5-6(7)9-4-8-5/h2-4H,1H3/b3-2+
InChIKeyXTVAFSSYRFDQJN-NSCUHMNNSA-N
MW143.19 g/mol
LogP2.32
Rot. Bonds1

About 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole

5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole (PubChem CID 155335256) has the molecular formula C6H6FNS and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole
PubChem CID155335256
Molecular FormulaC6H6FNS
Molecular Weight143.19 g/mol
Exact Mass143.02
IUPAC Name5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C/c1ncsc1F
InChIInChI=1S/C6H6FNS/c1-2-3-5-6(7)9-4-8-5/h2-4H,1H3/b3-2+
InChIKeyXTVAFSSYRFDQJN-NSCUHMNNSA-N
XLogP2.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole?
The IUPAC name of 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole (CID 155335256) is 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole?
The canonical SMILES for 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole is C/C=C/c1ncsc1F.
What is the InChIKey of 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole?
The InChIKey is XTVAFSSYRFDQJN-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H6FNS/c1-2-3-5-6(7)9-4-8-5/h2-4H,1H3/b3-2+.
What are the key properties of 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole?
5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole has a molecular weight of 143.19 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 155335256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).