4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol

C22H17N3OS — CID 137295298

IUPAC4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/N=c2/scc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3OS/c26-20-13-11-17(12-14-20)15-23-24-22-25(19-9-5-2-6-10-19)21(16-27-22)18-7-3-1-4-8-18/h1-16,26H/b23-15+,24-22+
InChIKeyOGRUWCIOSIZQSV-COWAANAZSA-N
MW371.47 g/mol
LogP4.85
Rot. Bonds4

About 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol

4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol (PubChem CID 137295298) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
PubChem CID137295298
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/N=c2/scc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3OS/c26-20-13-11-17(12-14-20)15-23-24-22-25(19-9-5-2-6-10-19)21(16-27-22)18-7-3-1-4-8-18/h1-16,26H/b23-15+,24-22+
InChIKeyOGRUWCIOSIZQSV-COWAANAZSA-N
XLogP4.85
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol (CID 137295298) is 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/N=c2/scc(-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The InChIKey is OGRUWCIOSIZQSV-COWAANAZSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-20-13-11-17(12-14-20)15-23-24-22-25(19-9-5-2-6-10-19)21(16-27-22)18-7-3-1-4-8-18/h1-16,26H/b23-15+,24-22+.
What are the key properties of 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol has a molecular weight of 371.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137295298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).