(2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one

C8H6N2O3S — CID 135754393

IUPAC(2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\O)S/C1=C/c1ccco1
InChIInChI=1S/C8H6N2O3S/c11-7-6(14-8(9-7)10-12)4-5-2-1-3-13-5/h1-4,12H,(H,9,10,11)/b6-4+
InChIKeyYZPLQXHXGWFQGB-GQCTYLIASA-N
MW210.21 g/mol
LogP1.23
Rot. Bonds1

About (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one

(2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one (PubChem CID 135754393) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one
PubChem CID135754393
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name(2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\O)S/C1=C/c1ccco1
InChIInChI=1S/C8H6N2O3S/c11-7-6(14-8(9-7)10-12)4-5-2-1-3-13-5/h1-4,12H,(H,9,10,11)/b6-4+
InChIKeyYZPLQXHXGWFQGB-GQCTYLIASA-N
XLogP1.23
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Amino-5-(2-furylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1404043
5-[(Furan-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 233025
5-(2-Furylmethylene)-2-imino-1,3-thiazolidin-4-one
CID 1243441
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 801586
methyl [2-[2-(2-furylmethylene)hydrazino]-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
CID 135455167
5-(2-Furylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1269435
CID 137630114
CID 137630114
(E)-methyl 2-(2-((E)-2-(furan-2-ylmethylene)hydrazinyl)-4-oxothiazol-5(4H)-ylidene)acetate
CID 135402708
2-Thioxo-5-[(1Z,2E)-3-(2-furanyl)-2-propenylidene]thiazolidine-4-one
CID 1389107
5-((2E)-3-(2-furyl)prop-2-enylidene)-1,3-thiazolidine-2,4-dione
CID 5975296
5-(2-Furylmethylene)-1,3-thiazolidine-2,4-dione
CID 1379703
2-Furaldehyde (5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135517209

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one (CID 135754393) is (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one is O=C1N/C(=N\O)S/C1=C/c1ccco1.
What is the InChIKey of (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one?
The InChIKey is YZPLQXHXGWFQGB-GQCTYLIASA-N. The full InChI is InChI=1S/C8H6N2O3S/c11-7-6(14-8(9-7)10-12)4-5-2-1-3-13-5/h1-4,12H,(H,9,10,11)/b6-4+.
What are the key properties of (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one?
(2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one has a molecular weight of 210.21 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135754393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).