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

C17H13NOS — CID 175143349

IUPAC5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESCc1ccccc1C=C1SC(c2ccccc2)=NC1=O
InChIInChI=1S/C17H13NOS/c1-12-7-5-6-10-14(12)11-15-16(19)18-17(20-15)13-8-3-2-4-9-13/h2-11H,1H3
InChIKeyXIZKEMTYZANEHK-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.06
Rot. Bonds2

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

5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (PubChem CID 175143349) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
PubChem CID175143349
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESCc1ccccc1C=C1SC(c2ccccc2)=NC1=O
InChIInChI=1S/C17H13NOS/c1-12-7-5-6-10-14(12)11-15-16(19)18-17(20-15)13-8-3-2-4-9-13/h2-11H,1H3
InChIKeyXIZKEMTYZANEHK-UHFFFAOYSA-N
XLogP4.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 3916048
(5E)-5-[(2-hydroxy-3-methylphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 6259127
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 750679
(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
5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 788766
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 7206300
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 5377235
(5Z)-5-(anthracen-9-ylmethylidene)-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 26368017
(5Z)-5-[(4-nitrophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 2097942
(5E)-5-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 171983299
5-imino-6-[(2-methylphenyl)methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2895132

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of 5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (CID 175143349) is 5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is Cc1ccccc1C=C1SC(c2ccccc2)=NC1=O.
What is the InChIKey of 5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The InChIKey is XIZKEMTYZANEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c1-12-7-5-6-10-14(12)11-15-16(19)18-17(20-15)13-8-3-2-4-9-13/h2-11H,1H3.
What are the key properties of 5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one has a molecular weight of 279.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 175143349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).