(2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C30H23N5O2S — CID 135782338

IUPAC(2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccco2)S/C1=C/c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C30H23N5O2S/c36-29-28(38-30(32-29)33-31-20-25-12-7-17-37-25)18-21-13-15-24(16-14-21)35-27(23-10-5-2-6-11-23)19-26(34-35)22-8-3-1-4-9-22/h1-18,20,27H,19H2,(H,32,33,36)/b28-18+,31-20+
InChIKeyUDQIWDLWHRFOKX-NPMFAPPMSA-N
MW517.61 g/mol
LogP6.23
Rot. Bonds6

About (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135782338) has the molecular formula C30H23N5O2S and a molecular weight of 517.61 g/mol. Its IUPAC name is (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135782338
Molecular FormulaC30H23N5O2S
Molecular Weight517.61 g/mol
Exact Mass517.16
IUPAC Name(2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccco2)S/C1=C/c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C30H23N5O2S/c36-29-28(38-30(32-29)33-31-20-25-12-7-17-37-25)18-21-13-15-24(16-14-21)35-27(23-10-5-2-6-11-23)19-26(34-35)22-8-3-1-4-9-22/h1-18,20,27H,19H2,(H,32,33,36)/b28-18+,31-20+
InChIKeyUDQIWDLWHRFOKX-NPMFAPPMSA-N
XLogP6.23
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.61
LogP ≤ 56.23
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-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)-4-amino-5-[[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methylidene]-1,3-thiazol-2-one
CID 27317331
(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7317499
(5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-hydroxy-1,3-thiazolidine-2-thione
CID 142938800
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 40877279
2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135498322
(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135603935
(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine
CID 11835018
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4315527
2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135413268
(2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135736425
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135782338) is (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccco2)S/C1=C/c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is UDQIWDLWHRFOKX-NPMFAPPMSA-N. The full InChI is InChI=1S/C30H23N5O2S/c36-29-28(38-30(32-29)33-31-20-25-12-7-17-37-25)18-21-13-15-24(16-14-21)35-27(23-10-5-2-6-11-23)19-26(34-35)22-8-3-1-4-9-22/h1-18,20,27H,19H2,(H,32,33,36)/b28-18+,31-20+.
What are the key properties of (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 517.61 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135782338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).