1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol

C19H16FNOS — CID 46942445

IUPAC1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)(c1cccc(F)c1)c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C19H16FNOS/c1-19(22,15-8-5-9-16(20)12-15)18-21-17(13-23-18)11-10-14-6-3-2-4-7-14/h2-13,22H,1H3/b11-10+
InChIKeyMWMWVWAYVBIXSC-ZHACJKMWSA-N
MW325.41 g/mol
LogP4.71
Rot. Bonds4

About 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol

1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol (PubChem CID 46942445) has the molecular formula C19H16FNOS and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol
PubChem CID46942445
Molecular FormulaC19H16FNOS
Molecular Weight325.41 g/mol
Exact Mass325.09
IUPAC Name1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)(c1cccc(F)c1)c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C19H16FNOS/c1-19(22,15-8-5-9-16(20)12-15)18-21-17(13-23-18)11-10-14-6-3-2-4-7-14/h2-13,22H,1H3/b11-10+
InChIKeyMWMWVWAYVBIXSC-ZHACJKMWSA-N
XLogP4.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol (CID 46942445) is 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol is CC(O)(c1cccc(F)c1)c1nc(/C=C/c2ccccc2)cs1.
What is the InChIKey of 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol?
The InChIKey is MWMWVWAYVBIXSC-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16FNOS/c1-19(22,15-8-5-9-16(20)12-15)18-21-17(13-23-18)11-10-14-6-3-2-4-7-14/h2-13,22H,1H3/b11-10+.
What are the key properties of 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol?
1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol has a molecular weight of 325.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 46942445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).