(5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C19H9FN2O3S — CID 118089642

IUPAC(5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(C#Cc4cccc(F)c4)c3o2)S1
InChIInChI=1S/C19H9FN2O3S/c20-14-3-1-2-11(6-14)4-5-12-9-21-10-13-7-15(25-17(12)13)8-16-18(23)22-19(24)26-16/h1-3,6-10H,(H,22,23,24)/b16-8-
InChIKeyMUUJOTDLBGHBDP-PXNMLYILSA-N
MW364.36 g/mol
LogP3.69
Rot. Bonds1

About (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089642) has the molecular formula C19H9FN2O3S and a molecular weight of 364.36 g/mol. Its IUPAC name is (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089642
Molecular FormulaC19H9FN2O3S
Molecular Weight364.36 g/mol
Exact Mass364.03
IUPAC Name(5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(C#Cc4cccc(F)c4)c3o2)S1
InChIInChI=1S/C19H9FN2O3S/c20-14-3-1-2-11(6-14)4-5-12-9-21-10-13-7-15(25-17(12)13)8-16-18(23)22-19(24)26-16/h1-3,6-10H,(H,22,23,24)/b16-8-
InChIKeyMUUJOTDLBGHBDP-PXNMLYILSA-N
XLogP3.69
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.69
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118089642) is (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3cncc(C#Cc4cccc(F)c4)c3o2)S1.
What is the InChIKey of (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MUUJOTDLBGHBDP-PXNMLYILSA-N. The full InChI is InChI=1S/C19H9FN2O3S/c20-14-3-1-2-11(6-14)4-5-12-9-21-10-13-7-15(25-17(12)13)8-16-18(23)22-19(24)26-16/h1-3,6-10H,(H,22,23,24)/b16-8-.
What are the key properties of (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 364.36 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).