2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

C16H10Br3N3OS — CID 168577785

IUPAC2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)c(C=NNc2nc(-c3ccccc3)cs2)c1Br
InChIInChI=1S/C16H10Br3N3OS/c17-11-6-12(18)15(23)14(19)10(11)7-20-22-16-21-13(8-24-16)9-4-2-1-3-5-9/h1-8,23H,(H,21,22)
InChIKeyHBWJSDGCYRLRAJ-UHFFFAOYSA-N
MW532.06 g/mol
LogP6.25
Rot. Bonds4

About 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 168577785) has the molecular formula C16H10Br3N3OS and a molecular weight of 532.06 g/mol. Its IUPAC name is 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID168577785
Molecular FormulaC16H10Br3N3OS
Molecular Weight532.06 g/mol
Exact Mass528.81
IUPAC Name2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)c(C=NNc2nc(-c3ccccc3)cs2)c1Br
InChIInChI=1S/C16H10Br3N3OS/c17-11-6-12(18)15(23)14(19)10(11)7-20-22-16-21-13(8-24-16)9-4-2-1-3-5-9/h1-8,23H,(H,21,22)
InChIKeyHBWJSDGCYRLRAJ-UHFFFAOYSA-N
XLogP6.25
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.06
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
2-bromo-3-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577518
4-bromo-2,3-dimethoxy-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577493
2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol
CID 169381666
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
4-bromo-2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 78699323
4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168576736
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(4-bromo-3-chlorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579281
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
3-bromo-2-chloro-6-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168579022
N-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578789

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 168577785) is 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Br)cc(Br)c(C=NNc2nc(-c3ccccc3)cs2)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is HBWJSDGCYRLRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br3N3OS/c17-11-6-12(18)15(23)14(19)10(11)7-20-22-16-21-13(8-24-16)9-4-2-1-3-5-9/h1-8,23H,(H,21,22).
What are the key properties of 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 532.06 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 168577785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).