(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

C12H7N3O2S — CID 5289247

IUPAC(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1
InChIInChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
InChIKeySQWZFLMPDUSYGV-POHAHGRESA-N
MW257.27 g/mol
LogP1.95
Rot. Bonds1

About (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 5289247) has the molecular formula C12H7N3O2S and a molecular weight of 257.27 g/mol. Its IUPAC name is (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID5289247
Molecular FormulaC12H7N3O2S
Molecular Weight257.27 g/mol
Exact Mass257.03
IUPAC Name(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1
InChIInChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
InChIKeySQWZFLMPDUSYGV-POHAHGRESA-N
XLogP1.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 5289247) is (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1.
What is the InChIKey of (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is SQWZFLMPDUSYGV-POHAHGRESA-N. The full InChI is InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-.
What are the key properties of (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 257.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 5289247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).