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

C18H8F4N2O3S2 — CID 118089426

IUPAC(5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc2cncc(-c3ccc(OC(F)(F)F)c(F)c3)c2o1
InChIInChI=1S/C18H8F4N2O3S2/c19-12-4-8(1-2-13(12)27-18(20,21)22)11-7-23-6-9-3-10(26-15(9)11)5-14-16(25)24-17(28)29-14/h1-7H,(H,24,25,28)/b14-5-
InChIKeyWYZHEXWDLXBRNY-RZNTYIFUSA-N
MW440.40 g/mol
LogP5.02
Rot. Bonds3

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

(5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 118089426) has the molecular formula C18H8F4N2O3S2 and a molecular weight of 440.40 g/mol. Its IUPAC name is (5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID118089426
Molecular FormulaC18H8F4N2O3S2
Molecular Weight440.40 g/mol
Exact Mass439.99
IUPAC Name(5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc2cncc(-c3ccc(OC(F)(F)F)c(F)c3)c2o1
InChIInChI=1S/C18H8F4N2O3S2/c19-12-4-8(1-2-13(12)27-18(20,21)22)11-7-23-6-9-3-10(26-15(9)11)5-14-16(25)24-17(28)29-14/h1-7H,(H,24,25,28)/b14-5-
InChIKeyWYZHEXWDLXBRNY-RZNTYIFUSA-N
XLogP5.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.40
LogP ≤ 55.02
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'}

Analyze (5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (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) is (5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cc2cncc(-c3ccc(OC(F)(F)F)c(F)c3)c2o1.
What is the InChIKey of (5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WYZHEXWDLXBRNY-RZNTYIFUSA-N. The full InChI is InChI=1S/C18H8F4N2O3S2/c19-12-4-8(1-2-13(12)27-18(20,21)22)11-7-23-6-9-3-10(26-15(9)11)5-14-16(25)24-17(28)29-14/h1-7H,(H,24,25,28)/b14-5-.
What are the key properties of (5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 440.40 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-[3-fluoro-4-(trifluoromethoxy)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 118089426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).