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

C16H15NO2S — CID 74062503

IUPAC3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one
SMILESC=c1sc(=C2C(=O)c3ccccc3C2C)n(CC)c1=O
InChIInChI=1S/C16H15NO2S/c1-4-17-15(19)10(3)20-16(17)13-9(2)11-7-5-6-8-12(11)14(13)18/h5-9H,3-4H2,1-2H3
InChIKeyHBYQKCZSLRRPSX-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.49
Rot. Bonds1

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

3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one (PubChem CID 74062503) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one
PubChem CID74062503
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one
SMILESC=c1sc(=C2C(=O)c3ccccc3C2C)n(CC)c1=O
InChIInChI=1S/C16H15NO2S/c1-4-17-15(19)10(3)20-16(17)13-9(2)11-7-5-6-8-12(11)14(13)18/h5-9H,3-4H2,1-2H3
InChIKeyHBYQKCZSLRRPSX-UHFFFAOYSA-N
XLogP1.49
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one (CID 74062503) is 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one is C=c1sc(=C2C(=O)c3ccccc3C2C)n(CC)c1=O.
What is the InChIKey of 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is HBYQKCZSLRRPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-4-17-15(19)10(3)20-16(17)13-9(2)11-7-5-6-8-12(11)14(13)18/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one?
3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylidene-2-(1-methyl-3-oxo-1H-inden-2-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 74062503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).