5-benzylidene-2-methyl-1,3-thiazol-4-one

C11H9NOS — CID 86629114

IUPAC5-benzylidene-2-methyl-1,3-thiazol-4-one
SMILESCC1=NC(=O)C(=Cc2ccccc2)S1
InChIInChI=1S/C11H9NOS/c1-8-12-11(13)10(14-8)7-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRAZGFSOKOUIOHP-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.72
Rot. Bonds1

About 5-benzylidene-2-methyl-1,3-thiazol-4-one

5-benzylidene-2-methyl-1,3-thiazol-4-one (PubChem CID 86629114) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-benzylidene-2-methyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-benzylidene-2-methyl-1,3-thiazol-4-one
PubChem CID86629114
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name5-benzylidene-2-methyl-1,3-thiazol-4-one
SMILESCC1=NC(=O)C(=Cc2ccccc2)S1
InChIInChI=1S/C11H9NOS/c1-8-12-11(13)10(14-8)7-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRAZGFSOKOUIOHP-UHFFFAOYSA-N
XLogP2.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.72
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'}

Analyze 5-benzylidene-2-methyl-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

N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide
CID 696268
N-[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2223650
(5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one
CID 2249423
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyl-1,3-thiazol-4-one
CID 142109495
(5E)-5-benzylidene-2-prop-2-enylsulfanyl-1,3-thiazol-4-one
CID 6385639
2-amino-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2828980
(5E)-5-[(4-methylphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 11976631
5-benzylidene-2-thiomorpholin-4-yl-1,3-thiazol-4-one
CID 69013145
(5E)-2-amino-5-[(3-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2243866
3-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-tert-butylpropanamide
CID 6377381
(5E)-2-(N-phenylanilino)-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-thiazol-4-one
CID 58795339
2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one
CID 69014599

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-2-methyl-1,3-thiazol-4-one?
The IUPAC name of 5-benzylidene-2-methyl-1,3-thiazol-4-one (CID 86629114) is 5-benzylidene-2-methyl-1,3-thiazol-4-one.
What is the SMILES notation for 5-benzylidene-2-methyl-1,3-thiazol-4-one?
The canonical SMILES for 5-benzylidene-2-methyl-1,3-thiazol-4-one is CC1=NC(=O)C(=Cc2ccccc2)S1.
What is the InChIKey of 5-benzylidene-2-methyl-1,3-thiazol-4-one?
The InChIKey is RAZGFSOKOUIOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8-12-11(13)10(14-8)7-9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-benzylidene-2-methyl-1,3-thiazol-4-one?
5-benzylidene-2-methyl-1,3-thiazol-4-one has a molecular weight of 203.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-2-methyl-1,3-thiazol-4-one is sourced from PubChem (CID 86629114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).