(5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C12H7NO2S2 — CID 10945211

IUPAC(5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc2ccccc2o1
InChIInChI=1S/C12H7NO2S2/c14-11-10(17-12(16)13-11)6-8-5-7-3-1-2-4-9(7)15-8/h1-6H,(H,13,14,16)/b10-6-
InChIKeyMCIXPJLOMAXCER-POHAHGRESA-N
MW261.33 g/mol
LogP2.92
Rot. Bonds1

About (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 10945211) has the molecular formula C12H7NO2S2 and a molecular weight of 261.33 g/mol. Its IUPAC name is (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID10945211
Molecular FormulaC12H7NO2S2
Molecular Weight261.33 g/mol
Exact Mass260.99
IUPAC Name(5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc2ccccc2o1
InChIInChI=1S/C12H7NO2S2/c14-11-10(17-12(16)13-11)6-8-5-7-3-1-2-4-9(7)15-8/h1-6H,(H,13,14,16)/b10-6-
InChIKeyMCIXPJLOMAXCER-POHAHGRESA-N
XLogP2.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 10945211) is (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cc2ccccc2o1.
What is the InChIKey of (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is MCIXPJLOMAXCER-POHAHGRESA-N. The full InChI is InChI=1S/C12H7NO2S2/c14-11-10(17-12(16)13-11)6-8-5-7-3-1-2-4-9(7)15-8/h1-6H,(H,13,14,16)/b10-6-.
What are the key properties of (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 261.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-benzofuran-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 10945211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).