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

C15H16N2OS2 — CID 69012133

IUPAC5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccc(C=C2SC(N3CCSCC3)=NC2=O)cc1
InChIInChI=1S/C15H16N2OS2/c1-11-2-4-12(5-3-11)10-13-14(18)16-15(20-13)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyJLDZECGDMNBLEZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.01
Rot. Bonds1

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

5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one (PubChem CID 69012133) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one
PubChem CID69012133
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccc(C=C2SC(N3CCSCC3)=NC2=O)cc1
InChIInChI=1S/C15H16N2OS2/c1-11-2-4-12(5-3-11)10-13-14(18)16-15(20-13)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyJLDZECGDMNBLEZ-UHFFFAOYSA-N
XLogP3.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one (CID 69012133) is 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one is Cc1ccc(C=C2SC(N3CCSCC3)=NC2=O)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is JLDZECGDMNBLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-11-2-4-12(5-3-11)10-13-14(18)16-15(20-13)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one?
5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 304.44 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 69012133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).