4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

C24H21N3O3S — CID 135454388

IUPAC4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1O
InChIInChI=1S/C24H21N3O3S/c1-29-19-13-16(14-20(30-2)22(19)28)15-25-27-24-26-21(17-9-5-3-6-10-17)23(31-24)18-11-7-4-8-12-18/h3-15,28H,1-2H3,(H,26,27)/b25-15+
InChIKeyNLRWKQMNEFGWES-MFKUBSTISA-N
MW431.52 g/mol
LogP5.65
Rot. Bonds7

About 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 135454388) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID135454388
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1O
InChIInChI=1S/C24H21N3O3S/c1-29-19-13-16(14-20(30-2)22(19)28)15-25-27-24-26-21(17-9-5-3-6-10-17)23(31-24)18-11-7-4-8-12-18/h3-15,28H,1-2H3,(H,26,27)/b25-15+
InChIKeyNLRWKQMNEFGWES-MFKUBSTISA-N
XLogP5.65
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol 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

5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53380487
5-(4-Methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387889
5-(4-Ethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387890
5-[4-(Trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387891
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387892
4-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-2-methoxyphenol
CID 135576406
(Z)-N-(2-(2-(3-ethoxy-4-hydroxybenzylidene)hydrazinyl)-4-(p-tolyl)thiazol-5-yl)acetamide
CID 135825093
4-[[[5-Benzyl-4-(4-methoxyphenyl)thiazol-2-yl]amino]methyl]-2-methoxy-phenol
CID 72706879
4-(4-Ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 118737480
4-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 122183262
(E)-5-((2-(Benzo[d]thiazol-2-yl)hydrazono)methyl)-2-methoxyphenol
CID 9642984
2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 9648910

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 135454388) is 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is COc1cc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1O.
What is the InChIKey of 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is NLRWKQMNEFGWES-MFKUBSTISA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-29-19-13-16(14-20(30-2)22(19)28)15-25-27-24-26-21(17-9-5-3-6-10-17)23(31-24)18-11-7-4-8-12-18/h3-15,28H,1-2H3,(H,26,27)/b25-15+.
What are the key properties of 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 431.52 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135454388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).