(2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C9H7NO3S — CID 2120106

IUPAC(2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=C/C(=O)c2ccco2)N1
InChIInChI=1S/C9H7NO3S/c11-6(7-2-1-3-13-7)4-9-10-8(12)5-14-9/h1-4H,5H2,(H,10,12)/b9-4+
InChIKeyXALRCXXRWJXPSZ-RUDMXATFSA-N
MW209.23 g/mol
LogP1.17
Rot. Bonds2

About (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one

(2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 2120106) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID2120106
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name(2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=C/C(=O)c2ccco2)N1
InChIInChI=1S/C9H7NO3S/c11-6(7-2-1-3-13-7)4-9-10-8(12)5-14-9/h1-4H,5H2,(H,10,12)/b9-4+
InChIKeyXALRCXXRWJXPSZ-RUDMXATFSA-N
XLogP1.17
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 2120106) is (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=C/C(=O)c2ccco2)N1.
What is the InChIKey of (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is XALRCXXRWJXPSZ-RUDMXATFSA-N. The full InChI is InChI=1S/C9H7NO3S/c11-6(7-2-1-3-13-7)4-9-10-8(12)5-14-9/h1-4H,5H2,(H,10,12)/b9-4+.
What are the key properties of (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 209.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2120106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).