(5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one

C25H22N2O2S — CID 118548173

IUPAC(5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCOCc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C25H22N2O2S/c1-29-18-21-12-8-11-20(15-21)16-23-24(28)27(22-13-6-3-7-14-22)25(30-23)26-17-19-9-4-2-5-10-19/h2-16H,17-18H2,1H3/b23-16-,26-25-
InChIKeyFSNVFPLQLHVQAK-JTUXUYRKSA-N
MW414.53 g/mol
LogP5.51
Rot. Bonds6

About (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one

(5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 118548173) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID118548173
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC Name(5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCOCc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C25H22N2O2S/c1-29-18-21-12-8-11-20(15-21)16-23-24(28)27(22-13-6-3-7-14-22)25(30-23)26-17-19-9-4-2-5-10-19/h2-16H,17-18H2,1H3/b23-16-,26-25-
InChIKeyFSNVFPLQLHVQAK-JTUXUYRKSA-N
XLogP5.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.51
H-Bond Donors ≤ 50
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)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 118542190
(5E)-3-benzyl-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2263095
(5Z)-3-benzyl-2-benzylimino-5-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126084072
5-[(Z)-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxybenzoic acid
CID 2262063
3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4016327
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842032
(5E)-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126087091
(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-fluorophenyl)-2-[(4-fluorophenyl)methylimino]-1,3-thiazolidin-4-one
CID 130202567
3-benzyl-2-benzylimino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3602044
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one
CID 24956674
(5Z)-3-benzyl-2-benzylimino-5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126089663

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 118548173) is (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one is COCc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(c3ccccc3)C2=O)c1.
What is the InChIKey of (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is FSNVFPLQLHVQAK-JTUXUYRKSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-29-18-21-12-8-11-20(15-21)16-23-24(28)27(22-13-6-3-7-14-22)25(30-23)26-17-19-9-4-2-5-10-19/h2-16H,17-18H2,1H3/b23-16-,26-25-.
What are the key properties of (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one?
(5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 414.53 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-benzylimino-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 118548173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).