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

C16H11BrClN3OS — CID 135501480

IUPAC4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H11BrClN3OS/c17-12-3-6-15(22)11(7-12)8-19-21-16-20-14(9-23-16)10-1-4-13(18)5-2-10/h1-9,22H,(H,20,21)/b19-8+
InChIKeyWIEAUAFCVFTMIO-UFWORHAWSA-N
MW408.71 g/mol
LogP5.38
Rot. Bonds4

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

4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135501480) has the molecular formula C16H11BrClN3OS and a molecular weight of 408.71 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135501480
Molecular FormulaC16H11BrClN3OS
Molecular Weight408.71 g/mol
Exact Mass406.95
IUPAC Name4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H11BrClN3OS/c17-12-3-6-15(22)11(7-12)8-19-21-16-20-14(9-23-16)10-1-4-13(18)5-2-10/h1-9,22H,(H,20,21)/b19-8+
InChIKeyWIEAUAFCVFTMIO-UFWORHAWSA-N
XLogP5.38
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]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

Related Compounds

(E)-2,6-Di-t-butyl-4-((2-(4-(4-Chlorophenyl)thiazole-2-yl)-hydrazono)methyl)-phenol (8)
CID 136661659
2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135887074
(1E)-1-(4-hydroxyphenyl)ethanone [4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazone
CID 136187015
2-((4-(4-Bromo-phenyl)-thiazol-2-YL)-hydrazonomethyl)-phenol
CID 135413785
2-Hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135521784
2-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 9676019
5-Bromo-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135458880
3,5-Dichloro-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135479622
4-[(E)-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135628745
2,4-dichloro-6-[(E)-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135629120
4-bromo-2-{(E)-[2-(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135685007
3,5-Dibromo-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135703820

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 135501480) is 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is WIEAUAFCVFTMIO-UFWORHAWSA-N. The full InChI is InChI=1S/C16H11BrClN3OS/c17-12-3-6-15(22)11(7-12)8-19-21-16-20-14(9-23-16)10-1-4-13(18)5-2-10/h1-9,22H,(H,20,21)/b19-8+.
What are the key properties of 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 408.71 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135501480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).