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

C14H10N2O3S — CID 135455140

IUPAC(5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C/c1ccco1
InChIInChI=1S/C14H10N2O3S/c17-10-5-3-9(4-6-10)15-14-16-13(18)12(20-14)8-11-2-1-7-19-11/h1-8,17H,(H,15,16,18)/b12-8+
InChIKeyIGVMDCWSCRTXMR-XYOKQWHBSA-N
MW286.31 g/mol
LogP2.88
Rot. Bonds2

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

(5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135455140) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is (5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135455140
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name(5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C/c1ccco1
InChIInChI=1S/C14H10N2O3S/c17-10-5-3-9(4-6-10)15-14-16-13(18)12(20-14)8-11-2-1-7-19-11/h1-8,17H,(H,15,16,18)/b12-8+
InChIKeyIGVMDCWSCRTXMR-XYOKQWHBSA-N
XLogP2.88
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 135455140) is (5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(O)cc2)S/C1=C/c1ccco1.
What is the InChIKey of (5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is IGVMDCWSCRTXMR-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-10-5-3-9(4-6-10)15-14-16-13(18)12(20-14)8-11-2-1-7-19-11/h1-8,17H,(H,15,16,18)/b12-8+.
What are the key properties of (5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 286.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(furan-2-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135455140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).