(E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one

C19H14FNO2S — CID 46603693

IUPAC(E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2cscn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO2S/c20-16-6-4-15(5-7-16)19(22)10-3-14-1-8-18(9-2-14)23-11-17-12-24-13-21-17/h1-10,12-13H,11H2/b10-3+
InChIKeyRIIUMOIEUOLYEO-XCVCLJGOSA-N
MW339.39 g/mol
LogP4.76
Rot. Bonds6

About (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one

(E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one (PubChem CID 46603693) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one
PubChem CID46603693
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC Name(E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2cscn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO2S/c20-16-6-4-15(5-7-16)19(22)10-3-14-1-8-18(9-2-14)23-11-17-12-24-13-21-17/h1-10,12-13H,11H2/b10-3+
InChIKeyRIIUMOIEUOLYEO-XCVCLJGOSA-N
XLogP4.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one (CID 46603693) is (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one is O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one?
The InChIKey is RIIUMOIEUOLYEO-XCVCLJGOSA-N. The full InChI is InChI=1S/C19H14FNO2S/c20-16-6-4-15(5-7-16)19(22)10-3-14-1-8-18(9-2-14)23-11-17-12-24-13-21-17/h1-10,12-13H,11H2/b10-3+.
What are the key properties of (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one?
(E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one has a molecular weight of 339.39 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 46603693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).