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

C19H24N2O4S — CID 71962423

IUPAC5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCCOc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1OCC
InChIInChI=1S/C19H24N2O4S/c1-3-9-25-15-6-5-14(12-16(15)24-4-2)13-17-18(22)20-19(26-17)21-7-10-23-11-8-21/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyBNQACWMCCJHUIF-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.18
Rot. Bonds6

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

5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 71962423) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID71962423
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCCOc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1OCC
InChIInChI=1S/C19H24N2O4S/c1-3-9-25-15-6-5-14(12-16(15)24-4-2)13-17-18(22)20-19(26-17)21-7-10-23-11-8-21/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyBNQACWMCCJHUIF-UHFFFAOYSA-N
XLogP3.18
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[(3-bromo-4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1498167
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 671071
5-[(3,4-diethoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 4919664
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 5294434
2-[2-methoxy-4-[(E)-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]acetic acid
CID 6533108
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 917009
(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 6218132
(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-one
CID 7349054
(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-one
CID 7349052
(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-one
CID 2131331
(5E)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 17045289
5-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 2878536

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 71962423) is 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is CCCOc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1OCC.
What is the InChIKey of 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is BNQACWMCCJHUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-9-25-15-6-5-14(12-16(15)24-4-2)13-17-18(22)20-19(26-17)21-7-10-23-11-8-21/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 376.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 71962423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).