(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one

C19H19NO2S — CID 118719696

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\SC(c3ccc(C)cc3)N(C)C2=O)cc1
InChIInChI=1S/C19H19NO2S/c1-13-4-8-15(9-5-13)19-20(2)18(21)17(23-19)12-14-6-10-16(22-3)11-7-14/h4-12,19H,1-3H3/b17-12-
InChIKeyXJNGIZBUDFODGB-ATVHPVEESA-N
MW325.43 g/mol
LogP4.25
Rot. Bonds3

About (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one

(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 118719696) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID118719696
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\SC(c3ccc(C)cc3)N(C)C2=O)cc1
InChIInChI=1S/C19H19NO2S/c1-13-4-8-15(9-5-13)19-20(2)18(21)17(23-19)12-14-6-10-16(22-3)11-7-14/h4-12,19H,1-3H3/b17-12-
InChIKeyXJNGIZBUDFODGB-ATVHPVEESA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 118719696) is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one is COc1ccc(/C=C2\SC(c3ccc(C)cc3)N(C)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is XJNGIZBUDFODGB-ATVHPVEESA-N. The full InChI is InChI=1S/C19H19NO2S/c1-13-4-8-15(9-5-13)19-20(2)18(21)17(23-19)12-14-6-10-16(22-3)11-7-14/h4-12,19H,1-3H3/b17-12-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 325.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 118719696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).