(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

C16H12N2O3S — CID 135706571

IUPAC(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\C=C\c1ccco1
InChIInChI=1S/C16H12N2O3S/c19-12-8-6-11(7-9-12)17-16-18-15(20)14(22-16)5-1-3-13-4-2-10-21-13/h1-10,19H,(H,17,18,20)/b3-1+,14-5-
InChIKeyFARBORZZVJAVDC-NQDFZQDQSA-N
MW312.35 g/mol
LogP3.43
Rot. Bonds3

About (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135706571) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135706571
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\C=C\c1ccco1
InChIInChI=1S/C16H12N2O3S/c19-12-8-6-11(7-9-12)17-16-18-15(20)14(22-16)5-1-3-13-4-2-10-21-13/h1-10,19H,(H,17,18,20)/b3-1+,14-5-
InChIKeyFARBORZZVJAVDC-NQDFZQDQSA-N
XLogP3.43
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.43
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 135706571) is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\C=C\c1ccco1.
What is the InChIKey of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is FARBORZZVJAVDC-NQDFZQDQSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-12-8-6-11(7-9-12)17-16-18-15(20)14(22-16)5-1-3-13-4-2-10-21-13/h1-10,19H,(H,17,18,20)/b3-1+,14-5-.
What are the key properties of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 312.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135706571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).