(5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

C16H18N2O2S — CID 660193

IUPAC(5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESC/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O2S/c1-11-3-5-13(6-4-11)12(2)14-15(19)17-16(21-14)18-7-9-20-10-8-18/h3-6H,7-10H2,1-2H3/b14-12+
InChIKeyYWHACQCLBPDUMP-WYMLVPIESA-N
MW302.40 g/mol
LogP2.69
Rot. Bonds1

About (5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

(5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 660193) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID660193
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESC/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O2S/c1-11-3-5-13(6-4-11)12(2)14-15(19)17-16(21-14)18-7-9-20-10-8-18/h3-6H,7-10H2,1-2H3/b14-12+
InChIKeyYWHACQCLBPDUMP-WYMLVPIESA-N
XLogP2.69
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.69
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)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 660193) is (5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is C/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccc(C)cc1.
What is the InChIKey of (5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is YWHACQCLBPDUMP-WYMLVPIESA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-3-5-13(6-4-11)12(2)14-15(19)17-16(21-14)18-7-9-20-10-8-18/h3-6H,7-10H2,1-2H3/b14-12+.
What are the key properties of (5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 302.40 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[1-(4-methylphenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 660193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).