(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H11N3O2S2 — CID 142717669

IUPAC(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)cn1
InChIInChI=1S/C17H11N3O2S2/c1-9-2-3-10(7-19-9)13-8-18-6-11-4-12(22-15(11)13)5-14-16(21)20-17(23)24-14/h2-8H,1H3,(H,20,21,23)/b14-5-
InChIKeyHMGOWUVDBXNOJD-RZNTYIFUSA-N
MW353.43 g/mol
LogP3.69
Rot. Bonds2

About (5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 142717669) has the molecular formula C17H11N3O2S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID142717669
Molecular FormulaC17H11N3O2S2
Molecular Weight353.43 g/mol
Exact Mass353.03
IUPAC Name(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)cn1
InChIInChI=1S/C17H11N3O2S2/c1-9-2-3-10(7-19-9)13-8-18-6-11-4-12(22-15(11)13)5-14-16(21)20-17(23)24-14/h2-8H,1H3,(H,20,21,23)/b14-5-
InChIKeyHMGOWUVDBXNOJD-RZNTYIFUSA-N
XLogP3.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 142717669) is (5Z)-5-[[7-(6-methyl-3-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-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccc(-c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)cn1.
What is the InChIKey of (5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HMGOWUVDBXNOJD-RZNTYIFUSA-N. The full InChI is InChI=1S/C17H11N3O2S2/c1-9-2-3-10(7-19-9)13-8-18-6-11-4-12(22-15(11)13)5-14-16(21)20-17(23)24-14/h2-8H,1H3,(H,20,21,23)/b14-5-.
What are the key properties of (5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 353.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 142717669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).