(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one

C18H15NO2S — CID 5411248

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1
InChIInChI=1S/C18H15NO2S/c1-12-3-7-14(8-4-12)18-19-17(20)16(22-18)11-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3/b16-11-
InChIKeyMPJWONVAQZMDCG-WJDWOHSUSA-N
MW309.39 g/mol
LogP4.06
Rot. Bonds3

About (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one

(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one (PubChem CID 5411248) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
PubChem CID5411248
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1
InChIInChI=1S/C18H15NO2S/c1-12-3-7-14(8-4-12)18-19-17(20)16(22-18)11-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3/b16-11-
InChIKeyMPJWONVAQZMDCG-WJDWOHSUSA-N
XLogP4.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-propoxyphenyl)-1,3-thiazol-4-one
CID 70681522
N-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2255687
acetic acid;(5E)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 52997289
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 2253206
(5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 19617457
5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 788766
5-imino-6-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 1007087
(5Z)-5-(anthracen-9-ylmethylidene)-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 26368017
2-amino-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2828980
1-N',4-N'-bis[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]benzene-1,4-dicarbohydrazide
CID 10371796
(5Z)-2-(azepan-1-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 676196
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 2222668

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one (CID 5411248) is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one is COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one?
The InChIKey is MPJWONVAQZMDCG-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-12-3-7-14(8-4-12)18-19-17(20)16(22-18)11-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3/b16-11-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one has a molecular weight of 309.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 5411248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).