(5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one

C24H15NOS — CID 2281221

IUPAC(5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H15NOS/c26-23-22(27-24(25-23)16-8-2-1-3-9-16)15-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-15H/b22-15+
InChIKeyMHCUXQRUZHKYGN-PXLXIMEGSA-N
MW365.46 g/mol
LogP6.05
Rot. Bonds2

About (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one

(5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one (PubChem CID 2281221) has the molecular formula C24H15NOS and a molecular weight of 365.46 g/mol. Its IUPAC name is (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
PubChem CID2281221
Molecular FormulaC24H15NOS
Molecular Weight365.46 g/mol
Exact Mass365.09
IUPAC Name(5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H15NOS/c26-23-22(27-24(25-23)16-8-2-1-3-9-16)15-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-15H/b22-15+
InChIKeyMHCUXQRUZHKYGN-PXLXIMEGSA-N
XLogP6.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 56.05
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 2281220
(5Z)-5-(anthracen-9-ylmethylidene)-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 26368017
5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 788766
5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 175143349
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 7206300
5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 3916048
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 5377235
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 750679
3,4-bis(anthracen-9-ylmethylidene)oxolane-2,5-dione
CID 72638480
5-(anthracen-9-ylmethylidene)-3-benzoyl-1,3-thiazolidine-2,4-dione
CID 3322634
(4E)-4-(anthracen-9-ylmethylidene)-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 20834647
(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 5350310

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one (CID 2281221) is (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one is O=C1N=C(c2ccccc2)S/C1=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
The InChIKey is MHCUXQRUZHKYGN-PXLXIMEGSA-N. The full InChI is InChI=1S/C24H15NOS/c26-23-22(27-24(25-23)16-8-2-1-3-9-16)15-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-15H/b22-15+.
What are the key properties of (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
(5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one has a molecular weight of 365.46 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 2281221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).