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

C18H16N2O2S — CID 135497996

IUPAC(5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)/C(=C/C=C/c3ccco3)S2)c1C
InChIInChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)/b7-4+,16-10-
InChIKeyJZWFUUKHNZTGMD-RMASLCFXSA-N
MW324.41 g/mol
LogP4.34
Rot. Bonds3

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

(5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135497996) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135497996
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)/C(=C/C=C/c3ccco3)S2)c1C
InChIInChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)/b7-4+,16-10-
InChIKeyJZWFUUKHNZTGMD-RMASLCFXSA-N
XLogP4.34
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.34
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)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one (CID 135497996) is (5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one is Cc1cccc(/N=C2\NC(=O)/C(=C/C=C/c3ccco3)S2)c1C.
What is the InChIKey of (5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is JZWFUUKHNZTGMD-RMASLCFXSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)/b7-4+,16-10-.
What are the key properties of (5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,3-dimethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135497996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).