(4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one

C8H11NOS — CID 167294879

IUPAC(4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one
SMILESC/C=c1/sc(=O)[nH]/c1=C/CC
InChIInChI=1S/C8H11NOS/c1-3-5-6-7(4-2)11-8(10)9-6/h4-5H,3H2,1-2H3,(H,9,10)/b6-5+,7-4+
InChIKeyRCJNCLIPLGUJSV-HVUXDCMCSA-N
MW169.25 g/mol
LogP0.43
Rot. Bonds1

About (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one

(4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one (PubChem CID 167294879) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one
PubChem CID167294879
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name(4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one
SMILESC/C=c1/sc(=O)[nH]/c1=C/CC
InChIInChI=1S/C8H11NOS/c1-3-5-6-7(4-2)11-8(10)9-6/h4-5H,3H2,1-2H3,(H,9,10)/b6-5+,7-4+
InChIKeyRCJNCLIPLGUJSV-HVUXDCMCSA-N
XLogP0.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one?
The IUPAC name of (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one (CID 167294879) is (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one is C/C=c1/sc(=O)[nH]/c1=C/CC.
What is the InChIKey of (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one?
The InChIKey is RCJNCLIPLGUJSV-HVUXDCMCSA-N. The full InChI is InChI=1S/C8H11NOS/c1-3-5-6-7(4-2)11-8(10)9-6/h4-5H,3H2,1-2H3,(H,9,10)/b6-5+,7-4+.
What are the key properties of (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one?
(4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one has a molecular weight of 169.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-4-propylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 167294879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).