(5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C16H12N2O3S — CID 46233542

IUPAC(5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccccn3)cc2)S1
InChIInChI=1S/C16H12N2O3S/c19-15-14(22-16(20)18-15)9-11-4-6-13(7-5-11)21-10-12-3-1-2-8-17-12/h1-9H,10H2,(H,18,19,20)/b14-9-
InChIKeyLMKYFZPBULAOJD-ZROIWOOFSA-N
MW312.35 g/mol
LogP2.98
Rot. Bonds4

About (5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 46233542) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is (5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID46233542
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name(5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccccn3)cc2)S1
InChIInChI=1S/C16H12N2O3S/c19-15-14(22-16(20)18-15)9-11-4-6-13(7-5-11)21-10-12-3-1-2-8-17-12/h1-9H,10H2,(H,18,19,20)/b14-9-
InChIKeyLMKYFZPBULAOJD-ZROIWOOFSA-N
XLogP2.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.98
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-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 46233542) is (5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCc3ccccn3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LMKYFZPBULAOJD-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15-14(22-16(20)18-15)9-11-4-6-13(7-5-11)21-10-12-3-1-2-8-17-12/h1-9H,10H2,(H,18,19,20)/b14-9-.
What are the key properties of (5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 312.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46233542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).