(2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one

C18H15NO2S — CID 10335506

IUPAC(2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=C\C(=O)c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H15NO2S/c1-13-18(21)19(15-10-6-3-7-11-15)17(22-13)12-16(20)14-8-4-2-5-9-14/h2-13H,1H3/b17-12-
InChIKeyRBJKLIWSQABJBI-ATVHPVEESA-N
MW309.39 g/mol
LogP3.88
Rot. Bonds3

About (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one

(2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 10335506) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one
PubChem CID10335506
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name(2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=C\C(=O)c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H15NO2S/c1-13-18(21)19(15-10-6-3-7-11-15)17(22-13)12-16(20)14-8-4-2-5-9-14/h2-13H,1H3/b17-12-
InChIKeyRBJKLIWSQABJBI-ATVHPVEESA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-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

(2Z)-1-(4-fluorophenyl)-2-[(5Z)-5-[2-(4-fluorophenyl)-2-oxoethylidene]-4-phenyl-1,2,4-dithiazolidin-3-ylidene]ethanone
CID 162404452
(2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one
CID 101426893
(2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone
CID 101358988
5-phenacylidene-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2836335
(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone
CID 177476304
5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide
CID 90457181
(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone
CID 2061022
7-methyl-1,3-dioxo-2-phenyl-3a,4,7,7a-tetrahydroisoindole-4-carboxylic acid
CID 15418242
4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 64837233
2-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)-1,3-diphenylpropane-1,3-dione
CID 101426889
2-(10-methylacridin-9-ylidene)-1-phenylethanone
CID 3797236
(2E)-5-[6-(hydroxymethyl)-3-methyl-2H-1,3-benzothiazol-2-yl]-3-methyl-2-phenacylidene-1,3-thiazolidin-4-one
CID 89221499

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one (CID 10335506) is (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one is CC1S/C(=C\C(=O)c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is RBJKLIWSQABJBI-ATVHPVEESA-N. The full InChI is InChI=1S/C18H15NO2S/c1-13-18(21)19(15-10-6-3-7-11-15)17(22-13)12-16(20)14-8-4-2-5-9-14/h2-13H,1H3/b17-12-.
What are the key properties of (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one?
(2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 309.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10335506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).