(5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C26H21N5O2S — CID 177375973

IUPAC(5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C26H21N5O2S/c32-25-24(34-26(28-25)27-21-12-5-2-6-13-21)15-20-11-7-8-14-23(20)33-18-22-17-31(30-29-22)16-19-9-3-1-4-10-19/h1-15,17H,16,18H2,(H,27,28,32)/b24-15-
InChIKeyFKDJCZMSQFNKAT-IWIPYMOSSA-N
MW467.55 g/mol
LogP4.80
Rot. Bonds7

About (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 177375973) has the molecular formula C26H21N5O2S and a molecular weight of 467.55 g/mol. Its IUPAC name is (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID177375973
Molecular FormulaC26H21N5O2S
Molecular Weight467.55 g/mol
Exact Mass467.14
IUPAC Name(5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C26H21N5O2S/c32-25-24(34-26(28-25)27-21-12-5-2-6-13-21)15-20-11-7-8-14-23(20)33-18-22-17-31(30-29-22)16-19-9-3-1-4-10-19/h1-15,17H,16,18H2,(H,27,28,32)/b24-15-
InChIKeyFKDJCZMSQFNKAT-IWIPYMOSSA-N
XLogP4.80
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-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

Related Compounds

(5Z)-5-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155510471
(5Z)-5-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155514150
(5Z)-5-[[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155520540
(5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155521378
(5Z)-5-[[4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155523591
(5Z)-5-[[4-[[1-(4-bromophenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155528406
(5Z)-5-[[4-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155535482
(5Z)-5-[[4-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155536975
(5Z)-5-[[4-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155552439
(5Z)-5-[[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155562754
Pyrimidin-4-one-1,2,3-triazole conjugate, 3h
CID 122164625
(5Z)-5-[[2-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]methylidene]-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
CID 177375975

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 177375973) is (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is FKDJCZMSQFNKAT-IWIPYMOSSA-N. The full InChI is InChI=1S/C26H21N5O2S/c32-25-24(34-26(28-25)27-21-12-5-2-6-13-21)15-20-11-7-8-14-23(20)33-18-22-17-31(30-29-22)16-19-9-3-1-4-10-19/h1-15,17H,16,18H2,(H,27,28,32)/b24-15-.
What are the key properties of (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 467.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 177375973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).