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

C18H20N2O2S — CID 90891503

IUPAC5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1cccc(CC=CC=C2SC(N3CCOCC3)=NC2=O)c1
InChIInChI=1S/C18H20N2O2S/c1-14-5-4-7-15(13-14)6-2-3-8-16-17(21)19-18(23-16)20-9-11-22-12-10-20/h2-5,7-8,13H,6,9-12H2,1H3
InChIKeySVLHYFAAQDRRMK-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.94
Rot. Bonds3

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

5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 90891503) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID90891503
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1cccc(CC=CC=C2SC(N3CCOCC3)=NC2=O)c1
InChIInChI=1S/C18H20N2O2S/c1-14-5-4-7-15(13-14)6-2-3-8-16-17(21)19-18(23-16)20-9-11-22-12-10-20/h2-5,7-8,13H,6,9-12H2,1H3
InChIKeySVLHYFAAQDRRMK-UHFFFAOYSA-N
XLogP2.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.94
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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Related Compounds

(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one
CID 11976459
5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 91943519
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 717351
(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 19589380
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 985001
5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 5214441
5-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 2878536
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 704633
(5Z)-2-morpholin-4-yl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one
CID 751908
(5E)-2-morpholin-4-yl-5-[(Z)-3-[4-(trifluoromethyl)phenyl]but-2-enylidene]-1,3-thiazol-4-one
CID 11976399
2-morpholin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]but-2-enylidene]-1,3-thiazol-4-one
CID 73159092
(5E)-5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1498168

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of 5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 90891503) is 5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is Cc1cccc(CC=CC=C2SC(N3CCOCC3)=NC2=O)c1.
What is the InChIKey of 5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is SVLHYFAAQDRRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14-5-4-7-15(13-14)6-2-3-8-16-17(21)19-18(23-16)20-9-11-22-12-10-20/h2-5,7-8,13H,6,9-12H2,1H3.
What are the key properties of 5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 328.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 90891503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).