4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

C16H12ClN3OS — CID 135628745

IUPAC4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H12ClN3OS/c17-13-5-3-12(4-6-13)15-10-22-16(19-15)20-18-9-11-1-7-14(21)8-2-11/h1-10,21H,(H,19,20)/b18-9+
InChIKeyFUTHYBOCGFDGCS-GIJQJNRQSA-N
MW329.81 g/mol
LogP4.62
Rot. Bonds4

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

4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135628745) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135628745
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H12ClN3OS/c17-13-5-3-12(4-6-13)15-10-22-16(19-15)20-18-9-11-1-7-14(21)8-2-11/h1-10,21H,(H,19,20)/b18-9+
InChIKeyFUTHYBOCGFDGCS-GIJQJNRQSA-N
XLogP4.62
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CID 753704
4-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-N,N-dimethylbenzenesulfonamide
CID 135548673
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
4-(4-(4-Chlorophenyl)-1,3-thiazol-2-YL)phenol
CID 1473815
3-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162655076
(E)-2,6-Di-t-butyl-4-((2-(4-(4-Chlorophenyl)thiazole-2-yl)-hydrazono)methyl)-phenol (8)
CID 136661659
4-bromo-2-[(E)-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135501480
(1E)-1-(4-hydroxyphenyl)ethanone [4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazone
CID 136187015
4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136961372
4-(4-chlorophenyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5344012
2-((4-(4-Bromo-phenyl)-thiazol-2-YL)-hydrazonomethyl)-phenol
CID 135413785
2-Hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135521784

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 135628745) is 4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is FUTHYBOCGFDGCS-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-13-5-3-12(4-6-13)15-10-22-16(19-15)20-18-9-11-1-7-14(21)8-2-11/h1-10,21H,(H,19,20)/b18-9+.
What are the key properties of 4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 329.81 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135628745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).