(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one

C22H19FN2O2S — CID 8856182

IUPAC(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2S/c23-18-8-6-16(7-9-18)19(26)10-11-20-21(17-4-2-1-3-5-17)24-22(28-20)25-12-14-27-15-13-25/h1-11H,12-15H2/b11-10+
InChIKeyYDJIDQHIPMFBLF-ZHACJKMWSA-N
MW394.47 g/mol
LogP4.68
Rot. Bonds5

About (E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one

(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one (PubChem CID 8856182) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
PubChem CID8856182
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2S/c23-18-8-6-16(7-9-18)19(26)10-11-20-21(17-4-2-1-3-5-17)24-22(28-20)25-12-14-27-15-13-25/h1-11H,12-15H2/b11-10+
InChIKeyYDJIDQHIPMFBLF-ZHACJKMWSA-N
XLogP4.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one (CID 8856182) is (E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one is O=C(/C=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The InChIKey is YDJIDQHIPMFBLF-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-18-8-6-16(7-9-18)19(26)10-11-20-21(17-4-2-1-3-5-17)24-22(28-20)25-12-14-27-15-13-25/h1-11H,12-15H2/b11-10+.
What are the key properties of (E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one?
(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one has a molecular weight of 394.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 8856182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).