2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol

C10H6Br2N2OS — CID 1286605

IUPAC2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1nccs1
InChIInChI=1S/C10H6Br2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-5,15H
InChIKeyCACIMWISSBWLGE-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.12
Rot. Bonds2

About 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol

2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol (PubChem CID 1286605) has the molecular formula C10H6Br2N2OS and a molecular weight of 362.05 g/mol. Its IUPAC name is 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol
PubChem CID1286605
Molecular FormulaC10H6Br2N2OS
Molecular Weight362.05 g/mol
Exact Mass359.86
IUPAC Name2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1nccs1
InChIInChI=1S/C10H6Br2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-5,15H
InChIKeyCACIMWISSBWLGE-UHFFFAOYSA-N
XLogP4.12
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)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

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
4-bromo-2-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135716339
(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
4-bromo-2-[(E)-(1,3-thiazol-2-ylimino)methyl]phenol
CID 135800067
2-Bromo-6-(1,3-thiazol-2-yliminomethyl)phenol
CID 911867
2-fluoro-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
CID 177549489
4-Bromo-2-(1,3-thiazol-2-yliminomethyl)phenol
CID 690757
Phenol, o-(N-2-thiazolylformimidoyl)-
CID 135509555
Salicylideneaminothiazole
CID 265478

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol (CID 1286605) is 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol is Oc1c(Br)cc(Br)cc1C=Nc1nccs1.
What is the InChIKey of 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol?
The InChIKey is CACIMWISSBWLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-5,15H.
What are the key properties of 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol?
2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol has a molecular weight of 362.05 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(1,3-thiazol-2-yliminomethyl)phenol is sourced from PubChem (CID 1286605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).