4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol

C10H8BrN3OS — CID 135716339

IUPAC4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1nccs1
InChIInChI=1S/C10H8BrN3OS/c11-8-1-2-9(15)7(5-8)6-13-14-10-12-3-4-16-10/h1-6,15H,(H,12,14)/b13-6+
InChIKeyOKZIDZZTEGNICL-AWNIVKPZSA-N
MW298.17 g/mol
LogP3.06
Rot. Bonds3

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

4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135716339) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
PubChem CID135716339
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1nccs1
InChIInChI=1S/C10H8BrN3OS/c11-8-1-2-9(15)7(5-8)6-13-14-10-12-3-4-16-10/h1-6,15H,(H,12,14)/b13-6+
InChIKeyOKZIDZZTEGNICL-AWNIVKPZSA-N
XLogP3.06
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.06
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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Related Compounds

4-Bromo-2-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 889301
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5711371
5-Bromo-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135458880
4-bromo-2-{(E)-[2-(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135685007
(2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 136217559
(E)-2-bromo-6-((thiazol-2-ylimino)methyl)phenol
CID 135549481
2,4-Dibromo-6-(thiazol-2-yliminomethyl)-phenol
CID 135688989
2-((1E)-2-(1,3-thiazol-2-yl)-2-azavinyl)phenol
CID 135400508
2,4-Dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol
CID 1286605
4-bromo-2-[(E)-(1,3-thiazol-2-ylimino)methyl]phenol
CID 135800067
Salicylaldehyde thiazolyl hydrazone
CID 2789386
2-Bromo-6-(1,3-thiazol-2-yliminomethyl)phenol
CID 911867

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (CID 135716339) is 4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is Oc1ccc(Br)cc1/C=N/Nc1nccs1.
What is the InChIKey of 4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is OKZIDZZTEGNICL-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c11-8-1-2-9(15)7(5-8)6-13-14-10-12-3-4-16-10/h1-6,15H,(H,12,14)/b13-6+.
What are the key properties of 4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 298.17 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135716339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).