(5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C8H10N2O2S2 — CID 1269468

IUPAC(5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/N1CCOCC1
InChIInChI=1S/C8H10N2O2S2/c11-7-6(14-8(13)9-7)5-10-1-3-12-4-2-10/h5H,1-4H2,(H,9,11,13)/b6-5+
InChIKeyUDBFGGJPIHSVFC-AATRIKPKSA-N
MW230.31 g/mol
LogP0.31
Rot. Bonds1

About (5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1269468) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1269468
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC Name(5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/N1CCOCC1
InChIInChI=1S/C8H10N2O2S2/c11-7-6(14-8(13)9-7)5-10-1-3-12-4-2-10/h5H,1-4H2,(H,9,11,13)/b6-5+
InChIKeyUDBFGGJPIHSVFC-AATRIKPKSA-N
XLogP0.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1269468) is (5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C/N1CCOCC1.
What is the InChIKey of (5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is UDBFGGJPIHSVFC-AATRIKPKSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c11-7-6(14-8(13)9-7)5-10-1-3-12-4-2-10/h5H,1-4H2,(H,9,11,13)/b6-5+.
What are the key properties of (5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 230.31 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1269468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).