2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole

C17H12FNS — CID 174977027

IUPAC2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole
SMILESFc1ccc(-c2cccc(C=Cc3nccs3)c2)cc1
InChIInChI=1S/C17H12FNS/c18-16-7-5-14(6-8-16)15-3-1-2-13(12-15)4-9-17-19-10-11-20-17/h1-12H
InChIKeyNBOLMFJUUKOCKH-UHFFFAOYSA-N
MW281.36 g/mol
LogP5.12
Rot. Bonds3

About 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole

2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole (PubChem CID 174977027) has the molecular formula C17H12FNS and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole
PubChem CID174977027
Molecular FormulaC17H12FNS
Molecular Weight281.36 g/mol
Exact Mass281.07
IUPAC Name2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole
SMILESFc1ccc(-c2cccc(C=Cc3nccs3)c2)cc1
InChIInChI=1S/C17H12FNS/c18-16-7-5-14(6-8-16)15-3-1-2-13(12-15)4-9-17-19-10-11-20-17/h1-12H
InChIKeyNBOLMFJUUKOCKH-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole?
The IUPAC name of 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole (CID 174977027) is 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole is Fc1ccc(-c2cccc(C=Cc3nccs3)c2)cc1.
What is the InChIKey of 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole?
The InChIKey is NBOLMFJUUKOCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNS/c18-16-7-5-14(6-8-16)15-3-1-2-13(12-15)4-9-17-19-10-11-20-17/h1-12H.
What are the key properties of 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole?
2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole has a molecular weight of 281.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-fluorophenyl)phenyl]ethenyl]-1,3-thiazole is sourced from PubChem (CID 174977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).