(2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one

C21H17NO2S — CID 23558219

IUPAC(2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one
SMILESC=c1s/c(=C2/C(=O)c3ccccc3C2c2ccccc2)n(CC)c1=O
InChIInChI=1S/C21H17NO2S/c1-3-22-20(24)13(2)25-21(22)18-17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(18)23/h4-12,17H,2-3H2,1H3/b21-18+
InChIKeyBFPDGGVUDNVYML-DYTRJAOYSA-N
MW347.44 g/mol
LogP2.52
Rot. Bonds2

About (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one

(2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one (PubChem CID 23558219) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one
PubChem CID23558219
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name(2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one
SMILESC=c1s/c(=C2/C(=O)c3ccccc3C2c2ccccc2)n(CC)c1=O
InChIInChI=1S/C21H17NO2S/c1-3-22-20(24)13(2)25-21(22)18-17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(18)23/h4-12,17H,2-3H2,1H3/b21-18+
InChIKeyBFPDGGVUDNVYML-DYTRJAOYSA-N
XLogP2.52
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-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

3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one
CID 74062503
(2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one
CID 11797380
(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-phenyl-3H-inden-1-one
CID 59104852
(3R)-3-(3,5-dimethylphenyl)-2-[(1S)-1-(3,5-dimethylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one
CID 91563450
5-phenyl-5H-indeno[2,1-a]inden-10-one
CID 10565727
7,14-diphenyl-7,14-dihydropentacene-5,12-dione
CID 23522309
2-(dimethylaminomethylidene)-3-phenyl-3H-inden-1-one
CID 4586381
7-ethyl-2-phenyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 3164999
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
(4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one
CID 132504937
9-phenyl-9H-fluorene
CID 13091
(2E,3S)-2-[(4-methylphenyl)methylidene]-3-phenyl-3H-inden-1-one
CID 1472122

Frequently Asked Questions

What is the IUPAC name of (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one (CID 23558219) is (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one is C=c1s/c(=C2/C(=O)c3ccccc3C2c2ccccc2)n(CC)c1=O.
What is the InChIKey of (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is BFPDGGVUDNVYML-DYTRJAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-3-22-20(24)13(2)25-21(22)18-17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(18)23/h4-12,17H,2-3H2,1H3/b21-18+.
What are the key properties of (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one?
(2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 347.44 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-ethyl-5-methylidene-2-(3-oxo-1-phenyl-1H-inden-2-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23558219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).