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

C17H14N2O2S — CID 135485236

IUPAC5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)C(=CC=Cc3ccco3)S2)c1
InChIInChI=1S/C17H14N2O2S/c1-12-5-2-6-13(11-12)18-17-19-16(20)15(22-17)9-3-7-14-8-4-10-21-14/h2-11H,1H3,(H,18,19,20)
InChIKeySQDCWOLXFMNZAJ-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.04
Rot. Bonds3

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

5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135485236) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135485236
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)C(=CC=Cc3ccco3)S2)c1
InChIInChI=1S/C17H14N2O2S/c1-12-5-2-6-13(11-12)18-17-19-16(20)15(22-17)9-3-7-14-8-4-10-21-14/h2-11H,1H3,(H,18,19,20)
InChIKeySQDCWOLXFMNZAJ-UHFFFAOYSA-N
XLogP4.04
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.04
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)-2-(3-acetylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 135404607
3-[[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135670358
5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135523586
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135467630
(5Z)-2-(4-ethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 136706933
3-[[5-[3-(furan-2-yl)prop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135483100
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
2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486627
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137044398
3-[[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135935100

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135485236) is 5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1cccc(/N=C2/NC(=O)C(=CC=Cc3ccco3)S2)c1.
What is the InChIKey of 5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is SQDCWOLXFMNZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-12-5-2-6-13(11-12)18-17-19-16(20)15(22-17)9-3-7-14-8-4-10-21-14/h2-11H,1H3,(H,18,19,20).
What are the key properties of 5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 310.38 g/mol, XLogP of 4.04, 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-(3-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135485236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).