5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one

C20H14N2O2S — CID 135523586

IUPAC5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc3ccccc3c2)SC1=CC=Cc1ccco1
InChIInChI=1S/C20H14N2O2S/c23-19-18(9-3-7-17-8-4-12-24-17)25-20(22-19)21-16-11-10-14-5-1-2-6-15(14)13-16/h1-13H,(H,21,22,23)
InChIKeyWAGGELNLFVJMCQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.88
Rot. Bonds3

About 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one

5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135523586) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135523586
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc3ccccc3c2)SC1=CC=Cc1ccco1
InChIInChI=1S/C20H14N2O2S/c23-19-18(9-3-7-17-8-4-12-24-17)25-20(22-19)21-16-11-10-14-5-1-2-6-15(14)13-16/h1-13H,(H,21,22,23)
InChIKeyWAGGELNLFVJMCQ-UHFFFAOYSA-N
XLogP4.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135467630
5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135485236
3-[[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135670358
(5Z)-2-(4-ethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 136706933
(5Z)-2-(3-acetylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 135404607
2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 135399272
5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 3976608
3-[[5-[3-(furan-2-yl)prop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135483100
5-[(5-bromofuran-2-yl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135523001
(5Z)-5-[(4-fluorophenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135602947
(5Z)-2-(4-anilinophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 137165846
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135766073

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one (CID 135523586) is 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc3ccccc3c2)SC1=CC=Cc1ccco1.
What is the InChIKey of 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is WAGGELNLFVJMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-19-18(9-3-7-17-8-4-12-24-17)25-20(22-19)21-16-11-10-14-5-1-2-6-15(14)13-16/h1-13H,(H,21,22,23).
What are the key properties of 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one?
5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 346.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).