(5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

C14H14N2O3SSi — CID 87207747

IUPAC(5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESC[Si](C)(C)c1cc2nc(/C=C3\SC(=O)NC3=O)ccc2o1
InChIInChI=1S/C14H14N2O3SSi/c1-21(2,3)12-7-9-10(19-12)5-4-8(15-9)6-11-13(17)16-14(18)20-11/h4-7H,1-3H3,(H,16,17,18)/b11-6-
InChIKeyVZVOSEHRTYVEMG-WDZFZDKYSA-N
MW318.43 g/mol
LogP2.70
Rot. Bonds2

About (5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 87207747) has the molecular formula C14H14N2O3SSi and a molecular weight of 318.43 g/mol. Its IUPAC name is (5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID87207747
Molecular FormulaC14H14N2O3SSi
Molecular Weight318.43 g/mol
Exact Mass318.05
IUPAC Name(5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESC[Si](C)(C)c1cc2nc(/C=C3\SC(=O)NC3=O)ccc2o1
InChIInChI=1S/C14H14N2O3SSi/c1-21(2,3)12-7-9-10(19-12)5-4-8(15-9)6-11-13(17)16-14(18)20-11/h4-7H,1-3H3,(H,16,17,18)/b11-6-
InChIKeyVZVOSEHRTYVEMG-WDZFZDKYSA-N
XLogP2.70
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 87207747) is (5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione is C[Si](C)(C)c1cc2nc(/C=C3\SC(=O)NC3=O)ccc2o1.
What is the InChIKey of (5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is VZVOSEHRTYVEMG-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H14N2O3SSi/c1-21(2,3)12-7-9-10(19-12)5-4-8(15-9)6-11-13(17)16-14(18)20-11/h4-7H,1-3H3,(H,16,17,18)/b11-6-.
What are the key properties of (5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 318.43 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87207747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).