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

C10H5N3O2S2 — CID 70684331

IUPAC(5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc2nonc2c1
InChIInChI=1S/C10H5N3O2S2/c14-9-8(17-10(16)11-9)4-5-1-2-6-7(3-5)13-15-12-6/h1-4H,(H,11,14,16)/b8-4-
InChIKeyWCWLATGESMBOJN-YWEYNIOJSA-N
MW263.30 g/mol
LogP1.71
Rot. Bonds1

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

(5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 70684331) has the molecular formula C10H5N3O2S2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID70684331
Molecular FormulaC10H5N3O2S2
Molecular Weight263.30 g/mol
Exact Mass262.98
IUPAC Name(5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc2nonc2c1
InChIInChI=1S/C10H5N3O2S2/c14-9-8(17-10(16)11-9)4-5-1-2-6-7(3-5)13-15-12-6/h1-4H,(H,11,14,16)/b8-4-
InChIKeyWCWLATGESMBOJN-YWEYNIOJSA-N
XLogP1.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 70684331) is (5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc2nonc2c1.
What is the InChIKey of (5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WCWLATGESMBOJN-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H5N3O2S2/c14-9-8(17-10(16)11-9)4-5-1-2-6-7(3-5)13-15-12-6/h1-4H,(H,11,14,16)/b8-4-.
What are the key properties of (5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 70684331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).