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

C10H7BrN2OS — CID 135800067

IUPAC4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1nccs1
InChIInChI=1S/C10H7BrN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-6,14H/b13-6+
InChIKeyQEWNZPOSOPGCFS-AWNIVKPZSA-N
MW283.15 g/mol
LogP3.36
Rot. Bonds2

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

4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol (PubChem CID 135800067) has the molecular formula C10H7BrN2OS and a molecular weight of 283.15 g/mol. Its IUPAC name is 4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol
PubChem CID135800067
Molecular FormulaC10H7BrN2OS
Molecular Weight283.15 g/mol
Exact Mass281.95
IUPAC Name4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1nccs1
InChIInChI=1S/C10H7BrN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-6,14H/b13-6+
InChIKeyQEWNZPOSOPGCFS-AWNIVKPZSA-N
XLogP3.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-((Thiazol-2-ylimino)methyl)benzene-1,3-diol
CID 394207
2,4-Dibromo-6-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 1887680
4-Bromo-2-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 889301
Phenol, 4-[(2-thiazolylimino)methyl]-
CID 135477882
4-bromo-2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
CID 136076137
4-bromo-2-{(E)-[2-(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135685007
4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135716339
(2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 136217559
4-[(E)-thiazol-2-yliminomethyl]benzene-1,3-diol
CID 135499694
(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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol (CID 135800067) is 4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1nccs1.
What is the InChIKey of 4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The InChIKey is QEWNZPOSOPGCFS-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H7BrN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-6,14H/b13-6+.
What are the key properties of 4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol has a molecular weight of 283.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol is sourced from PubChem (CID 135800067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).