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

C9H6N2O2S — CID 1204987

IUPAC(5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccccn2)S1
InChIInChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-3-1-2-4-10-6/h1-5H,(H,11,12,13)/b7-5-
InChIKeyNYTMYQRFLUTBEL-ALCCZGGFSA-N
MW206.23 g/mol
LogP1.41
Rot. Bonds1

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

(5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1204987) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is (5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1204987
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name(5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccccn2)S1
InChIInChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-3-1-2-4-10-6/h1-5H,(H,11,12,13)/b7-5-
InChIKeyNYTMYQRFLUTBEL-ALCCZGGFSA-N
XLogP1.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 1204987) is (5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccccn2)S1.
What is the InChIKey of (5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is NYTMYQRFLUTBEL-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-3-1-2-4-10-6/h1-5H,(H,11,12,13)/b7-5-.
What are the key properties of (5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 206.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1204987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).