(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

C12H7NOS4 — CID 45052909

IUPAC(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1ccc(-c2cccs2)s1
InChIInChI=1S/C12H7NOS4/c14-11-10(18-12(15)13-11)6-7-3-4-9(17-7)8-2-1-5-16-8/h1-6H,(H,13,14,15)/b10-6+
InChIKeyOFWADGOJEMSXMK-UXBLZVDNSA-N
MW309.46 g/mol
LogP3.97
Rot. Bonds2

About (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 45052909) has the molecular formula C12H7NOS4 and a molecular weight of 309.46 g/mol. Its IUPAC name is (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID45052909
Molecular FormulaC12H7NOS4
Molecular Weight309.46 g/mol
Exact Mass308.94
IUPAC Name(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1ccc(-c2cccs2)s1
InChIInChI=1S/C12H7NOS4/c14-11-10(18-12(15)13-11)6-7-3-4-9(17-7)8-2-1-5-16-8/h1-6H,(H,13,14,15)/b10-6+
InChIKeyOFWADGOJEMSXMK-UXBLZVDNSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.97
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)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 45052909) is (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C/c1ccc(-c2cccs2)s1.
What is the InChIKey of (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is OFWADGOJEMSXMK-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H7NOS4/c14-11-10(18-12(15)13-11)6-7-3-4-9(17-7)8-2-1-5-16-8/h1-6H,(H,13,14,15)/b10-6+.
What are the key properties of (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 309.46 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 45052909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).