(5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H10N2O4S4 — CID 139230858

IUPAC(5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C2\SC(=S)N(CCO)C2=O)SC(=S)N1CCO
InChIInChI=1S/C10H10N2O4S4/c13-3-1-11-7(15)5(19-9(11)17)6-8(16)12(2-4-14)10(18)20-6/h13-14H,1-4H2/b6-5+
InChIKeyZDIQYCLINAMBES-AATRIKPKSA-N
MW350.47 g/mol
LogP-0.10
Rot. Bonds4

About (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 139230858) has the molecular formula C10H10N2O4S4 and a molecular weight of 350.47 g/mol. Its IUPAC name is (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID139230858
Molecular FormulaC10H10N2O4S4
Molecular Weight350.47 g/mol
Exact Mass349.95
IUPAC Name(5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C2\SC(=S)N(CCO)C2=O)SC(=S)N1CCO
InChIInChI=1S/C10H10N2O4S4/c13-3-1-11-7(15)5(19-9(11)17)6-8(16)12(2-4-14)10(18)20-6/h13-14H,1-4H2/b6-5+
InChIKeyZDIQYCLINAMBES-AATRIKPKSA-N
XLogP-0.10
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 139230858) is (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C2\SC(=S)N(CCO)C2=O)SC(=S)N1CCO.
What is the InChIKey of (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZDIQYCLINAMBES-AATRIKPKSA-N. The full InChI is InChI=1S/C10H10N2O4S4/c13-3-1-11-7(15)5(19-9(11)17)6-8(16)12(2-4-14)10(18)20-6/h13-14H,1-4H2/b6-5+.
What are the key properties of (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 350.47 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 139230858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).