(5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C8H5NO3S — CID 1379703

IUPAC(5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccco2)S1
InChIInChI=1S/C8H5NO3S/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-
InChIKeyOZIVFRZKBDVKEO-XQRVVYSFSA-N
MW195.20 g/mol
LogP1.60
Rot. Bonds1

About (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1379703) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1379703
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccco2)S1
InChIInChI=1S/C8H5NO3S/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-
InChIKeyOZIVFRZKBDVKEO-XQRVVYSFSA-N
XLogP1.60
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 1379703) is (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccco2)S1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is OZIVFRZKBDVKEO-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 195.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1379703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).