(5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C13H9NO3S3 — CID 12005023

IUPAC(5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(SCc2ccco2)o1
InChIInChI=1S/C13H9NO3S3/c15-12-10(20-13(18)14-12)6-8-3-4-11(17-8)19-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15,18)/b10-6-
InChIKeyCWSMJZATCCRPAQ-POHAHGRESA-N
MW323.42 g/mol
LogP3.65
Rot. Bonds4

About (5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 12005023) has the molecular formula C13H9NO3S3 and a molecular weight of 323.42 g/mol. Its IUPAC name is (5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID12005023
Molecular FormulaC13H9NO3S3
Molecular Weight323.42 g/mol
Exact Mass322.97
IUPAC Name(5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(SCc2ccco2)o1
InChIInChI=1S/C13H9NO3S3/c15-12-10(20-13(18)14-12)6-8-3-4-11(17-8)19-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15,18)/b10-6-
InChIKeyCWSMJZATCCRPAQ-POHAHGRESA-N
XLogP3.65
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.65
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-[[5-(furan-2-ylmethylsulfanyl)furan-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-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 12005023) is (5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc(SCc2ccco2)o1.
What is the InChIKey of (5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CWSMJZATCCRPAQ-POHAHGRESA-N. The full InChI is InChI=1S/C13H9NO3S3/c15-12-10(20-13(18)14-12)6-8-3-4-11(17-8)19-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15,18)/b10-6-.
What are the key properties of (5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 323.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 12005023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).