(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C18H15N3OS — CID 135493319

IUPAC(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCC(/C=C1\S/C(=N/c2cccnc2)NC1=O)=C\c1ccccc1
InChIInChI=1S/C18H15N3OS/c1-13(10-14-6-3-2-4-7-14)11-16-17(22)21-18(23-16)20-15-8-5-9-19-12-15/h2-12H,1H3,(H,20,21,22)/b13-10+,16-11-
InChIKeyXQWFQRNOZYZXFI-VKDWSQHSSA-N
MW321.41 g/mol
LogP3.92
Rot. Bonds3

About (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 135493319) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID135493319
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCC(/C=C1\S/C(=N/c2cccnc2)NC1=O)=C\c1ccccc1
InChIInChI=1S/C18H15N3OS/c1-13(10-14-6-3-2-4-7-14)11-16-17(22)21-18(23-16)20-15-8-5-9-19-12-15/h2-12H,1H3,(H,20,21,22)/b13-10+,16-11-
InChIKeyXQWFQRNOZYZXFI-VKDWSQHSSA-N
XLogP3.92
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.92
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'}

Analyze (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 135493319) is (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is CC(/C=C1\S/C(=N/c2cccnc2)NC1=O)=C\c1ccccc1.
What is the InChIKey of (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is XQWFQRNOZYZXFI-VKDWSQHSSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-13(10-14-6-3-2-4-7-14)11-16-17(22)21-18(23-16)20-15-8-5-9-19-12-15/h2-12H,1H3,(H,20,21,22)/b13-10+,16-11-.
What are the key properties of (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 321.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135493319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).