(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

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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).