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

C18H15NOS — CID 904162

IUPAC(5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc1
InChIInChI=1S/C18H15NOS/c1-12-3-7-14(8-4-12)11-16-17(20)19-18(21-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3/b16-11+
InChIKeyQNCRYZXSAWKLJN-LFIBNONCSA-N
MW293.39 g/mol
LogP4.36
Rot. Bonds2

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

(5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 904162) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is (5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID904162
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name(5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc1
InChIInChI=1S/C18H15NOS/c1-12-3-7-14(8-4-12)11-16-17(20)19-18(21-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3/b16-11+
InChIKeyQNCRYZXSAWKLJN-LFIBNONCSA-N
XLogP4.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one (CID 904162) is (5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one is Cc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc1.
What is the InChIKey of (5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is QNCRYZXSAWKLJN-LFIBNONCSA-N. The full InChI is InChI=1S/C18H15NOS/c1-12-3-7-14(8-4-12)11-16-17(20)19-18(21-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3/b16-11+.
What are the key properties of (5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one?
(5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 293.39 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 904162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).