(4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol

C20H16F3NO2S — CID 46943951

IUPAC(4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(C(O)c2nc(/C=C/c3ccc(C(F)(F)F)cc3)cs2)cc1
InChIInChI=1S/C20H16F3NO2S/c1-26-17-10-5-14(6-11-17)18(25)19-24-16(12-27-19)9-4-13-2-7-15(8-3-13)20(21,22)23/h2-12,18,25H,1H3/b9-4+
InChIKeyBZUSZRCLBUEUOJ-RUDMXATFSA-N
MW391.41 g/mol
LogP5.42
Rot. Bonds5

About (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol

(4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 46943951) has the molecular formula C20H16F3NO2S and a molecular weight of 391.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol
PubChem CID46943951
Molecular FormulaC20H16F3NO2S
Molecular Weight391.41 g/mol
Exact Mass391.09
IUPAC Name(4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(C(O)c2nc(/C=C/c3ccc(C(F)(F)F)cc3)cs2)cc1
InChIInChI=1S/C20H16F3NO2S/c1-26-17-10-5-14(6-11-17)18(25)19-24-16(12-27-19)9-4-13-2-7-15(8-3-13)20(21,22)23/h2-12,18,25H,1H3/b9-4+
InChIKeyBZUSZRCLBUEUOJ-RUDMXATFSA-N
XLogP5.42
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.41
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol (CID 46943951) is (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol is COc1ccc(C(O)c2nc(/C=C/c3ccc(C(F)(F)F)cc3)cs2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is BZUSZRCLBUEUOJ-RUDMXATFSA-N. The full InChI is InChI=1S/C20H16F3NO2S/c1-26-17-10-5-14(6-11-17)18(25)19-24-16(12-27-19)9-4-13-2-7-15(8-3-13)20(21,22)23/h2-12,18,25H,1H3/b9-4+.
What are the key properties of (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol?
(4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 391.41 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46943951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).