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

C17H13NO2S — CID 3916048

IUPAC5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESCOc1ccccc1C=C1SC(c2ccccc2)=NC1=O
InChIInChI=1S/C17H13NO2S/c1-20-14-10-6-5-9-13(14)11-15-16(19)18-17(21-15)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyKLXPYLFJFJFSHI-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.76
Rot. Bonds3

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

5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (PubChem CID 3916048) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
PubChem CID3916048
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESCOc1ccccc1C=C1SC(c2ccccc2)=NC1=O
InChIInChI=1S/C17H13NO2S/c1-20-14-10-6-5-9-13(14)11-15-16(19)18-17(21-15)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyKLXPYLFJFJFSHI-UHFFFAOYSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.76
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

5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 175143349
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one
CID 6537013
(5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 19617457
2-(azepan-1-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2878171
(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 5350310
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 50740940
(5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 2281221
(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 2281220
(5E)-5-[(2-hydroxy-3-methylphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 6259127
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 5411248
5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 788766
(5Z)-2-amino-5-[[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2277693

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (CID 3916048) is 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is COc1ccccc1C=C1SC(c2ccccc2)=NC1=O.
What is the InChIKey of 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The InChIKey is KLXPYLFJFJFSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-20-14-10-6-5-9-13(14)11-15-16(19)18-17(21-15)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one has a molecular weight of 295.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 3916048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).