(5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one

C15H16N2O2S — CID 885277

IUPAC(5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one
SMILESC/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-11(12-5-3-2-4-6-12)13-14(18)16-15(20-13)17-7-9-19-10-8-17/h2-6H,7-10H2,1H3/b13-11+
InChIKeyAYLFOHMZMYASEZ-ACCUITESSA-N
MW288.37 g/mol
LogP2.38
Rot. Bonds1

About (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one

(5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one (PubChem CID 885277) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one
PubChem CID885277
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one
SMILESC/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-11(12-5-3-2-4-6-12)13-14(18)16-15(20-13)17-7-9-19-10-8-17/h2-6H,7-10H2,1H3/b13-11+
InChIKeyAYLFOHMZMYASEZ-ACCUITESSA-N
XLogP2.38
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one (CID 885277) is (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one is C/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccccc1.
What is the InChIKey of (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one?
The InChIKey is AYLFOHMZMYASEZ-ACCUITESSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(12-5-3-2-4-6-12)13-14(18)16-15(20-13)17-7-9-19-10-8-17/h2-6H,7-10H2,1H3/b13-11+.
What are the key properties of (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one?
(5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one has a molecular weight of 288.37 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-morpholin-4-yl-5-(1-phenylethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 885277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).