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

C17H10ClN3O2S2 — CID 118090666

IUPAC(5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1cc(-c2cncc3cc(/C=C4/SC(=S)NC4=O)oc23)cnc1Cl
InChIInChI=1S/C17H10ClN3O2S2/c1-8-2-9(6-20-15(8)18)12-7-19-5-10-3-11(23-14(10)12)4-13-16(22)21-17(24)25-13/h2-7H,1H3,(H,21,22,24)/b13-4+
InChIKeyWPWVTWJBXRQWQO-YIXHJXPBSA-N
MW387.87 g/mol
LogP4.34
Rot. Bonds2

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

(5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 118090666) has the molecular formula C17H10ClN3O2S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID118090666
Molecular FormulaC17H10ClN3O2S2
Molecular Weight387.87 g/mol
Exact Mass386.99
IUPAC Name(5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1cc(-c2cncc3cc(/C=C4/SC(=S)NC4=O)oc23)cnc1Cl
InChIInChI=1S/C17H10ClN3O2S2/c1-8-2-9(6-20-15(8)18)12-7-19-5-10-3-11(23-14(10)12)4-13-16(22)21-17(24)25-13/h2-7H,1H3,(H,21,22,24)/b13-4+
InChIKeyWPWVTWJBXRQWQO-YIXHJXPBSA-N
XLogP4.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089426
(5E)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089429
(5Z)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089496
(5E)-5-[[7-[2-(4-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089499
(5Z)-2-sulfanylidene-5-[[7-[2-[2-(trifluoromethoxy)phenyl]ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118089536
(5E)-2-sulfanylidene-5-[[7-[2-[2-(trifluoromethoxy)phenyl]ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118089538
(5Z)-5-[[7-[4-chloro-3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089540
(5E)-5-[[7-[4-chloro-3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089541
(5Z)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089596
(5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089598
(5Z)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089628
(5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089632

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 118090666) is (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1cc(-c2cncc3cc(/C=C4/SC(=S)NC4=O)oc23)cnc1Cl.
What is the InChIKey of (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WPWVTWJBXRQWQO-YIXHJXPBSA-N. The full InChI is InChI=1S/C17H10ClN3O2S2/c1-8-2-9(6-20-15(8)18)12-7-19-5-10-3-11(23-14(10)12)4-13-16(22)21-17(24)25-13/h2-7H,1H3,(H,21,22,24)/b13-4+.
What are the key properties of (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 387.87 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 118090666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).