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

C15H17N3OS — CID 4126226

IUPAC5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
SMILESCc1ccc(C=C2SC(N3CCNCC3)=NC2=O)cc1
InChIInChI=1S/C15H17N3OS/c1-11-2-4-12(5-3-11)10-13-14(19)17-15(20-13)18-8-6-16-7-9-18/h2-5,10,16H,6-9H2,1H3
InChIKeyDYZMYZLVIJRVPU-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.87
Rot. Bonds1

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

5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one (PubChem CID 4126226) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
PubChem CID4126226
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
SMILESCc1ccc(C=C2SC(N3CCNCC3)=NC2=O)cc1
InChIInChI=1S/C15H17N3OS/c1-11-2-4-12(5-3-11)10-13-14(19)17-15(20-13)18-8-6-16-7-9-18/h2-5,10,16H,6-9H2,1H3
InChIKeyDYZMYZLVIJRVPU-UHFFFAOYSA-N
XLogP1.87
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
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-piperazin-1-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

Related Compounds

5-(4-Methyl-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 691921
Monosubstituted aryl-Me ATX inhibitor 10
CID 72836854
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 50910523
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)acrylamide
CID 897475
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-isopropylphenyl)acrylamide
CID 5416418
Disubstituted aryl-Me ATX inhibitor 1
CID 72836855
Monosubstituted aryl-Me ATX inhibitor 7
CID 72836853
2-(4-benzyl-1-piperazinyl)-5-(1-methylethylidene)-1,3-thiazol-4(5H)-one
CID 885464
2-{[1-allyl-4-(4-methylbenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-propylacetamide
CID 1820073
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 50910532
(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 20831524
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]but-2-enamide
CID 50910537

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
The IUPAC name of 5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one (CID 4126226) is 5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one is Cc1ccc(C=C2SC(N3CCNCC3)=NC2=O)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
The InChIKey is DYZMYZLVIJRVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-2-4-12(5-3-11)10-13-14(19)17-15(20-13)18-8-6-16-7-9-18/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one has a molecular weight of 287.39 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 4126226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).