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

C16H12BrN3OS — CID 135458880

IUPAC4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12BrN3OS/c17-13-6-7-15(21)12(8-13)9-18-20-16-19-14(10-22-16)11-4-2-1-3-5-11/h1-10,21H,(H,19,20)/b18-9+
InChIKeyITKNRALPMCQMBP-GIJQJNRQSA-N
MW374.26 g/mol
LogP4.72
Rot. Bonds4

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

4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135458880) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135458880
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12BrN3OS/c17-13-6-7-15(21)12(8-13)9-18-20-16-19-14(10-22-16)11-4-2-1-3-5-11/h1-10,21H,(H,19,20)/b18-9+
InChIKeyITKNRALPMCQMBP-GIJQJNRQSA-N
XLogP4.72
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 135458880) is 4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is ITKNRALPMCQMBP-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-13-6-7-15(21)12(8-13)9-18-20-16-19-14(10-22-16)11-4-2-1-3-5-11/h1-10,21H,(H,19,20)/b18-9+.
What are the key properties of 4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
4-bromo-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 374.26 g/mol, XLogP of 4.72, 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-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135458880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).