(5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one

C26H24N2O2S — CID 137035916

IUPAC(5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(COc2ccc(/C=C3\S/C(=N/c4ccccc4)NC3=O)cc2)c(C)c1
InChIInChI=1S/C26H24N2O2S/c1-17-13-18(2)23(19(3)14-17)16-30-22-11-9-20(10-12-22)15-24-25(29)28-26(31-24)27-21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,27,28,29)/b24-15-
InChIKeyLDKCSGUPTUIHMR-IWIPYMOSSA-N
MW428.56 g/mol
LogP6.08
Rot. Bonds5

About (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 137035916) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID137035916
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC Name(5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(COc2ccc(/C=C3\S/C(=N/c4ccccc4)NC3=O)cc2)c(C)c1
InChIInChI=1S/C26H24N2O2S/c1-17-13-18(2)23(19(3)14-17)16-30-22-11-9-20(10-12-22)15-24-25(29)28-26(31-24)27-21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,27,28,29)/b24-15-
InChIKeyLDKCSGUPTUIHMR-IWIPYMOSSA-N
XLogP6.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135420449
(5Z)-2-(4-methylphenyl)imino-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135721457
(5E)-2-(3-methylphenyl)imino-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135403891
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
2-[4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 135841235
(5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137122879
(5E)-2-(4-ethoxyphenyl)imino-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137139474
5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135400669
(5Z)-2-(3,5-dimethylphenyl)imino-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137120643
(5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135592707
(5Z)-2-(4-hydroxyphenyl)imino-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135563045
(5Z)-2-(4-ethylphenyl)imino-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137044187

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one (CID 137035916) is (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one is Cc1cc(C)c(COc2ccc(/C=C3\S/C(=N/c4ccccc4)NC3=O)cc2)c(C)c1.
What is the InChIKey of (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is LDKCSGUPTUIHMR-IWIPYMOSSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-17-13-18(2)23(19(3)14-17)16-30-22-11-9-20(10-12-22)15-24-25(29)28-26(31-24)27-21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,27,28,29)/b24-15-.
What are the key properties of (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 428.56 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137035916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).