(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H11N3O3S2 — CID 118090196

IUPAC(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cc(-c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)ccn1
InChIInChI=1S/C17H11N3O3S2/c1-22-14-5-9(2-3-19-14)12-8-18-7-10-4-11(23-15(10)12)6-13-16(21)20-17(24)25-13/h2-8H,1H3,(H,20,21,24)/b13-6-
InChIKeyJMQNZJDJJMHHNZ-MLPAPPSSSA-N
MW369.43 g/mol
LogP3.39
Rot. Bonds3

About (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 118090196) has the molecular formula C17H11N3O3S2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID118090196
Molecular FormulaC17H11N3O3S2
Molecular Weight369.43 g/mol
Exact Mass369.02
IUPAC Name(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cc(-c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)ccn1
InChIInChI=1S/C17H11N3O3S2/c1-22-14-5-9(2-3-19-14)12-8-18-7-10-4-11(23-15(10)12)6-13-16(21)20-17(24)25-13/h2-8H,1H3,(H,20,21,24)/b13-6-
InChIKeyJMQNZJDJJMHHNZ-MLPAPPSSSA-N
XLogP3.39
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 118090196) is (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1cc(-c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)ccn1.
What is the InChIKey of (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is JMQNZJDJJMHHNZ-MLPAPPSSSA-N. The full InChI is InChI=1S/C17H11N3O3S2/c1-22-14-5-9(2-3-19-14)12-8-18-7-10-4-11(23-15(10)12)6-13-16(21)20-17(24)25-13/h2-8H,1H3,(H,20,21,24)/b13-6-.
What are the key properties of (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 369.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 118090196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).