2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

C16H11Br2N3OS — CID 135703820

IUPAC2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11Br2N3OS/c17-12-6-11(15(22)13(18)7-12)8-19-21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9,22H,(H,20,21)/b19-8+
InChIKeyCHNHZGSHCVGQFG-UFWORHAWSA-N
MW453.16 g/mol
LogP5.49
Rot. Bonds4

About 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135703820) has the molecular formula C16H11Br2N3OS and a molecular weight of 453.16 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135703820
Molecular FormulaC16H11Br2N3OS
Molecular Weight453.16 g/mol
Exact Mass450.90
IUPAC Name2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11Br2N3OS/c17-12-6-11(15(22)13(18)7-12)8-19-21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9,22H,(H,20,21)/b19-8+
InChIKeyCHNHZGSHCVGQFG-UFWORHAWSA-N
XLogP5.49
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.16
LogP ≤ 55.49
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 2,4-dibromo-6-[(E)-[(4-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 135703820) is 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is CHNHZGSHCVGQFG-UFWORHAWSA-N. The full InChI is InChI=1S/C16H11Br2N3OS/c17-12-6-11(15(22)13(18)7-12)8-19-21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9,22H,(H,20,21)/b19-8+.
What are the key properties of 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 453.16 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135703820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).