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

C14H12N2O2S — CID 121403514

IUPAC(5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESC=c1s/c(=C2\C(=O)Nc3ccccc32)c(=O)n1CC
InChIInChI=1S/C14H12N2O2S/c1-3-16-8(2)19-12(14(16)18)11-9-6-4-5-7-10(9)15-13(11)17/h4-7H,2-3H2,1H3,(H,15,17)/b12-11-
InChIKeyUYFOUSWNHYNNIH-QXMHVHEDSA-N
MW272.33 g/mol
LogP0.49
Rot. Bonds1

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

(5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 121403514) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID121403514
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESC=c1s/c(=C2\C(=O)Nc3ccccc32)c(=O)n1CC
InChIInChI=1S/C14H12N2O2S/c1-3-16-8(2)19-12(14(16)18)11-9-6-4-5-7-10(9)15-13(11)17/h4-7H,2-3H2,1H3,(H,15,17)/b12-11-
InChIKeyUYFOUSWNHYNNIH-QXMHVHEDSA-N
XLogP0.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (CID 121403514) is (5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is C=c1s/c(=C2\C(=O)Nc3ccccc32)c(=O)n1CC.
What is the InChIKey of (5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is UYFOUSWNHYNNIH-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-3-16-8(2)19-12(14(16)18)11-9-6-4-5-7-10(9)15-13(11)17/h4-7H,2-3H2,1H3,(H,15,17)/b12-11-.
What are the key properties of (5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 272.33 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-2-methylidene-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 121403514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).