2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

C20H21N3OS — CID 135513567

IUPAC2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C=NN=C2NC(=O)C(c3ccccc3)S2)cc1
InChIInChI=1S/C20H21N3OS/c1-20(2,3)16-11-9-14(10-12-16)13-21-23-19-22-18(24)17(25-19)15-7-5-4-6-8-15/h4-13,17H,1-3H3,(H,22,23,24)
InChIKeyIPNOTBKLIUYSCI-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.28
Rot. Bonds3

About 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 135513567) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
PubChem CID135513567
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C=NN=C2NC(=O)C(c3ccccc3)S2)cc1
InChIInChI=1S/C20H21N3OS/c1-20(2,3)16-11-9-14(10-12-16)13-21-23-19-22-18(24)17(25-19)15-7-5-4-6-8-15/h4-13,17H,1-3H3,(H,22,23,24)
InChIKeyIPNOTBKLIUYSCI-UHFFFAOYSA-N
XLogP4.28
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-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

2-[(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135444282
(2Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135650471
(2Z,5R)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 136822492
(2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135648218
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135942078
(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135603935
(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135523730
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
(2E)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135712021
2-[(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 171128696

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (CID 135513567) is 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(C=NN=C2NC(=O)C(c3ccccc3)S2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is IPNOTBKLIUYSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-20(2,3)16-11-9-14(10-12-16)13-21-23-19-22-18(24)17(25-19)15-7-5-4-6-8-15/h4-13,17H,1-3H3,(H,22,23,24).
What are the key properties of 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 351.48 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135513567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).