(2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one

C30H25N3O2S2 — CID 18845421

IUPAC(2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C30H25N3O2S2/c1-3-17-33-28(34)27(37-30(33)32-29-31-25(20-36-29)23-9-5-4-6-10-23)18-24-11-7-8-12-26(24)35-19-22-15-13-21(2)14-16-22/h3-16,18,20H,1,17,19H2,2H3/b27-18-,32-30+
InChIKeyDUNAEWVKTSVFLB-WNKABTNQSA-N
MW523.68 g/mol
LogP7.49
Rot. Bonds8

About (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one

(2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 18845421) has the molecular formula C30H25N3O2S2 and a molecular weight of 523.68 g/mol. Its IUPAC name is (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID18845421
Molecular FormulaC30H25N3O2S2
Molecular Weight523.68 g/mol
Exact Mass523.14
IUPAC Name(2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C30H25N3O2S2/c1-3-17-33-28(34)27(37-30(33)32-29-31-25(20-36-29)23-9-5-4-6-10-23)18-24-11-7-8-12-26(24)35-19-22-15-13-21(2)14-16-22/h3-16,18,20H,1,17,19H2,2H3/b27-18-,32-30+
InChIKeyDUNAEWVKTSVFLB-WNKABTNQSA-N
XLogP7.49
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-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

(2E,5Z)-3-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18845317
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845456
(2E,5Z)-5-[(2-nitrophenyl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845479
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845416
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126243533
(5Z)-3-benzyl-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 6519280
3-benzyl-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 3884790
(2E,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[(4-methyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18844915
(2E,5Z)-2-[(4-methyl-1,3-thiazol-2-yl)imino]-3-phenyl-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18845008
(5E)-5-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126070068
(2E,5Z)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845485
(5E)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 1332334

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 18845421) is (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is DUNAEWVKTSVFLB-WNKABTNQSA-N. The full InChI is InChI=1S/C30H25N3O2S2/c1-3-17-33-28(34)27(37-30(33)32-29-31-25(20-36-29)23-9-5-4-6-10-23)18-24-11-7-8-12-26(24)35-19-22-15-13-21(2)14-16-22/h3-16,18,20H,1,17,19H2,2H3/b27-18-,32-30+.
What are the key properties of (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 523.68 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18845421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).