(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

C16H18N2O3S — CID 676186

IUPAC(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-2-21-13-5-3-12(4-6-13)11-14-15(19)17-16(22-14)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3/b14-11-
InChIKeySYKSUKDZLCWNCF-KAMYIIQDSA-N
MW318.40 g/mol
LogP2.39
Rot. Bonds3

About (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 676186) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID676186
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-2-21-13-5-3-12(4-6-13)11-14-15(19)17-16(22-14)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3/b14-11-
InChIKeySYKSUKDZLCWNCF-KAMYIIQDSA-N
XLogP2.39
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

5-(3,4-dimethoxybenzylidene)-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one
CID 1725351
(Z)-5-(4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one
CID 690363
5-(2,5-dimethoxybenzylidene)-2-(1-piperidinyl)-1,3-thiazol-4(5H)-one
CID 702119
(E)-1-morpholin-4-yl-3-(4-propoxyphenyl)prop-2-en-1-one
CID 1569010
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone
CID 4127627
5-(4-Allyloxy-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 5761934
(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
CID 917009
(5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46233493
(5E)-5-(2H-chromen-3-ylmethylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 700553
(5Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 1876676
2-Piperidin-1-yl-5-(2-propoxy-benzylidene)-thiazol-4-one
CID 1918569
5-[(2-methyl-2H-chromen-3-yl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
CID 5733878

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 676186) is (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is CCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is SYKSUKDZLCWNCF-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-21-13-5-3-12(4-6-13)11-14-15(19)17-16(22-14)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3/b14-11-.
What are the key properties of (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 318.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 676186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).