4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol

C17H12FNOS — CID 135418204

IUPAC4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H12FNOS/c18-14-6-4-13(5-7-14)16-11-21-17(19-16)10-3-12-1-8-15(20)9-2-12/h1-11,20H/b10-3+
InChIKeyZANPUXVPKQHVAE-XCVCLJGOSA-N
MW297.35 g/mol
LogP4.83
Rot. Bonds3

About 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol

4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol (PubChem CID 135418204) has the molecular formula C17H12FNOS and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
PubChem CID135418204
Molecular FormulaC17H12FNOS
Molecular Weight297.35 g/mol
Exact Mass297.06
IUPAC Name4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H12FNOS/c18-14-6-4-13(5-7-14)16-11-21-17(19-16)10-3-12-1-8-15(20)9-2-12/h1-11,20H/b10-3+
InChIKeyZANPUXVPKQHVAE-XCVCLJGOSA-N
XLogP4.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol (CID 135418204) is 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol is Oc1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol?
The InChIKey is ZANPUXVPKQHVAE-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H12FNOS/c18-14-6-4-13(5-7-14)16-11-21-17(19-16)10-3-12-1-8-15(20)9-2-12/h1-11,20H/b10-3+.
What are the key properties of 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol?
4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol has a molecular weight of 297.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol is sourced from PubChem (CID 135418204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).