(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'}

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Related Compounds

(5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 5967294
ROCHE screening, 64
CID 135475857
(7Z)-3-(3-methylphenyl)-7-(pyridin-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1806528
(2E,5Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-(p-tolylimino)thiazolidin-4-one
CID 135444306
(5Z)-2-(2-methylanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
CID 135535982
(2E,5Z)-2-((2,4-dimethylphenyl)imino)-5-((1-methyl-1H-pyrrol-2-yl)methylene)thiazolidin-4-one
CID 135628212
(2E)-3-phenyl-N-(pyridin-3-yl)prop-2-enamide
CID 825474
(5Z)-2-(4-ethylphenyl)imino-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 134145284
N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155512072
2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810570
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810579
1-benzyl-2-(methylthio)-4-(3-pyridylmethylidene)-4,5-dihydro-1H-imidazol-5-one
CID 6364736

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).