(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

C20H19NO4S — CID 6505773

IUPAC(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1
InChIInChI=1S/C20H19NO4S/c1-13-4-6-14(7-5-13)12-21-19(22)18(26-20(21)23)10-15-8-9-16(24-2)11-17(15)25-3/h4-11H,12H2,1-3H3/b18-10-
InChIKeyVGBKZNXOXOJGEP-ZDLGFXPLSA-N
MW369.44 g/mol
LogP4.25
Rot. Bonds5

About (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 6505773) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID6505773
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1
InChIInChI=1S/C20H19NO4S/c1-13-4-6-14(7-5-13)12-21-19(22)18(26-20(21)23)10-15-8-9-16(24-2)11-17(15)25-3/h4-11H,12H2,1-3H3/b18-10-
InChIKeyVGBKZNXOXOJGEP-ZDLGFXPLSA-N
XLogP4.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 6505773) is (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione is COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1.
What is the InChIKey of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is VGBKZNXOXOJGEP-ZDLGFXPLSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-13-4-6-14(7-5-13)12-21-19(22)18(26-20(21)23)10-15-8-9-16(24-2)11-17(15)25-3/h4-11H,12H2,1-3H3/b18-10-.
What are the key properties of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 369.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6505773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).