(5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C20H16N4O3S — CID 155521378

IUPAC(5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(-n2cc(COc3ccc(/C=C4\SC(=O)NC4=O)cc3)nn2)cc1
InChIInChI=1S/C20H16N4O3S/c1-13-2-6-16(7-3-13)24-11-15(22-23-24)12-27-17-8-4-14(5-9-17)10-18-19(25)21-20(26)28-18/h2-11H,12H2,1H3,(H,21,25,26)/b18-10-
InChIKeyRVGGAZXHUJQQLD-ZDLGFXPLSA-N
MW392.44 g/mol
LogP3.48
Rot. Bonds5

About (5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 155521378) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is (5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID155521378
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name(5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(-n2cc(COc3ccc(/C=C4\SC(=O)NC4=O)cc3)nn2)cc1
InChIInChI=1S/C20H16N4O3S/c1-13-2-6-16(7-3-13)24-11-15(22-23-24)12-27-17-8-4-14(5-9-17)10-18-19(25)21-20(26)28-18/h2-11H,12H2,1H3,(H,21,25,26)/b18-10-
InChIKeyRVGGAZXHUJQQLD-ZDLGFXPLSA-N
XLogP3.48
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 155521378) is (5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(-n2cc(COc3ccc(/C=C4\SC(=O)NC4=O)cc3)nn2)cc1.
What is the InChIKey of (5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is RVGGAZXHUJQQLD-ZDLGFXPLSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-13-2-6-16(7-3-13)24-11-15(22-23-24)12-27-17-8-4-14(5-9-17)10-18-19(25)21-20(26)28-18/h2-11H,12H2,1H3,(H,21,25,26)/b18-10-.
What are the key properties of (5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 392.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 155521378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).