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

C17H12FNOS — CID 15477392

IUPAC3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
SMILESOc1cccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C17H12FNOS/c18-14-7-5-13(6-8-14)16-11-21-17(19-16)9-4-12-2-1-3-15(20)10-12/h1-11,20H/b9-4+
InChIKeySMXSOYCXVAVPHG-RUDMXATFSA-N
MW297.35 g/mol
LogP4.83
Rot. Bonds3

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

3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol (PubChem CID 15477392) has the molecular formula C17H12FNOS and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
PubChem CID15477392
Molecular FormulaC17H12FNOS
Molecular Weight297.35 g/mol
Exact Mass297.06
IUPAC Name3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
SMILESOc1cccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C17H12FNOS/c18-14-7-5-13(6-8-14)16-11-21-17(19-16)9-4-12-2-1-3-15(20)10-12/h1-11,20H/b9-4+
InChIKeySMXSOYCXVAVPHG-RUDMXATFSA-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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Related Compounds

4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
4-(4-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 4204561
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018
2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 4690778
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 162721182
3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787
4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 135409428
2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 6085608
2-[(E)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethenyl]phenol;4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol;4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 158279125
4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole
CID 6043812
3-[3-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]anilino]propanoic acid
CID 14051189
2-[(E)-2-(3-chlorophenyl)ethenyl]-4-(4-nitrophenyl)-1,3-thiazole
CID 6028763

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol?
The IUPAC name of 3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol (CID 15477392) is 3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol is Oc1cccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)c1.
What is the InChIKey of 3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol?
The InChIKey is SMXSOYCXVAVPHG-RUDMXATFSA-N. The full InChI is InChI=1S/C17H12FNOS/c18-14-7-5-13(6-8-14)16-11-21-17(19-16)9-4-12-2-1-3-15(20)10-12/h1-11,20H/b9-4+.
What are the key properties of 3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol?
3-[(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 3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol is sourced from PubChem (CID 15477392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).