4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol

C17H13BrN2OS — CID 135676186

IUPAC4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
SMILESCc1ccc(-c2csc(/N=C/c3cc(Br)ccc3O)n2)cc1
InChIInChI=1S/C17H13BrN2OS/c1-11-2-4-12(5-3-11)15-10-22-17(20-15)19-9-13-8-14(18)6-7-16(13)21/h2-10,21H,1H3/b19-9+
InChIKeyZBFKJPOERRTUGY-DJKKODMXSA-N
MW373.28 g/mol
LogP5.34
Rot. Bonds3

About 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol

4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol (PubChem CID 135676186) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
PubChem CID135676186
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC Name4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
SMILESCc1ccc(-c2csc(/N=C/c3cc(Br)ccc3O)n2)cc1
InChIInChI=1S/C17H13BrN2OS/c1-11-2-4-12(5-3-11)15-10-22-17(20-15)19-9-13-8-14(18)6-7-16(13)21/h2-10,21H,1H3/b19-9+
InChIKeyZBFKJPOERRTUGY-DJKKODMXSA-N
XLogP5.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.34
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

3-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]benzene-1,2-diol
CID 137241590
2-[2-[4-(3-Bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 155563852
4-bromo-2-[(E)-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135501480
3-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]benzene-1,2-diol
CID 136048762
2-[2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 155543836
2-[2-[4-(3-Bromophenyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 155555245
2-((4-(4-Bromo-phenyl)-thiazol-2-YL)-hydrazonomethyl)-phenol
CID 135413785
2-Hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135521784
2-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 9676019
2-Benzyl-1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 49860057
4-Bromo-2-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]phenol
CID 122183948
5-Bromo-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135458880

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol (CID 135676186) is 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol is Cc1ccc(-c2csc(/N=C/c3cc(Br)ccc3O)n2)cc1.
What is the InChIKey of 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol?
The InChIKey is ZBFKJPOERRTUGY-DJKKODMXSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c1-11-2-4-12(5-3-11)15-10-22-17(20-15)19-9-13-8-14(18)6-7-16(13)21/h2-10,21H,1H3/b19-9+.
What are the key properties of 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol?
4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol has a molecular weight of 373.28 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135676186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).