(5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C19H9FN2O2S2 — CID 118089499

IUPAC(5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1cc2cncc(C#Cc3ccc(F)cc3)c2o1
InChIInChI=1S/C19H9FN2O2S2/c20-14-5-2-11(3-6-14)1-4-12-9-21-10-13-7-15(24-17(12)13)8-16-18(23)22-19(25)26-16/h2-3,5-10H,(H,22,23,25)/b16-8+
InChIKeyJMGYVSWCOMZNAW-LZYBPNLTSA-N
MW380.43 g/mol
LogP3.86
Rot. Bonds1

About (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 118089499) has the molecular formula C19H9FN2O2S2 and a molecular weight of 380.43 g/mol. Its IUPAC name is (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID118089499
Molecular FormulaC19H9FN2O2S2
Molecular Weight380.43 g/mol
Exact Mass380.01
IUPAC Name(5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1cc2cncc(C#Cc3ccc(F)cc3)c2o1
InChIInChI=1S/C19H9FN2O2S2/c20-14-5-2-11(3-6-14)1-4-12-9-21-10-13-7-15(24-17(12)13)8-16-18(23)22-19(25)26-16/h2-3,5-10H,(H,22,23,25)/b16-8+
InChIKeyJMGYVSWCOMZNAW-LZYBPNLTSA-N
XLogP3.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 118089499) is (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C/c1cc2cncc(C#Cc3ccc(F)cc3)c2o1.
What is the InChIKey of (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is JMGYVSWCOMZNAW-LZYBPNLTSA-N. The full InChI is InChI=1S/C19H9FN2O2S2/c20-14-5-2-11(3-6-14)1-4-12-9-21-10-13-7-15(24-17(12)13)8-16-18(23)22-19(25)26-16/h2-3,5-10H,(H,22,23,25)/b16-8+.
What are the key properties of (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 380.43 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 118089499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).