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

C17H14N2O2S — CID 135451683

IUPAC(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)/C(=C/C=C/c3ccco3)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)/b7-3+,15-9-
InChIKeySQDCWOLXFMNZAJ-ZFBSGXTPSA-N
MW310.38 g/mol
LogP4.04
Rot. Bonds3

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

(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135451683) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135451683
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)/C(=C/C=C/c3ccco3)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)/b7-3+,15-9-
InChIKeySQDCWOLXFMNZAJ-ZFBSGXTPSA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135451683) is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1cccc(/N=C2\NC(=O)/C(=C/C=C/c3ccco3)S2)c1.
What is the InChIKey of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is SQDCWOLXFMNZAJ-ZFBSGXTPSA-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)/b7-3+,15-9-.
What are the key properties of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(E)-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 (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135451683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).