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

C10H6Br2N2OS — CID 135688989

IUPAC2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1nccs1
InChIInChI=1S/C10H6Br2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-5,15H/b14-5+
InChIKeyCACIMWISSBWLGE-LHHJGKSTSA-N
MW362.05 g/mol
LogP4.12
Rot. Bonds2

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

2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol (PubChem CID 135688989) has the molecular formula C10H6Br2N2OS and a molecular weight of 362.05 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
PubChem CID135688989
Molecular FormulaC10H6Br2N2OS
Molecular Weight362.05 g/mol
Exact Mass359.86
IUPAC Name2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1nccs1
InChIInChI=1S/C10H6Br2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-5,15H/b14-5+
InChIKeyCACIMWISSBWLGE-LHHJGKSTSA-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'}

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Related Compounds

2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine
CID 10730521
4-methoxy-2-(1,3-thiazol-2-yliminomethyl)phenol
CID 935743
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135614191
2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol
CID 135799788
(2Z,4R)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-5-imino-4-(1,3-thiazol-2-yl)thiolan-3-one
CID 126342489
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol (CID 135688989) is 2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/c1nccs1.
What is the InChIKey of 2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The InChIKey is CACIMWISSBWLGE-LHHJGKSTSA-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/b14-5+.
What are the key properties of 2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
2,4-dibromo-6-[(E)-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-[(E)-1,3-thiazol-2-yliminomethyl]phenol is sourced from PubChem (CID 135688989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).