2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol

C16H10BrCl2N3O2S — CID 177477020

IUPAC2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol
SMILESOc1ccc(Br)cc1/C=N/Nc1nc(-c2cc(Cl)cc(Cl)c2O)cs1
InChIInChI=1S/C16H10BrCl2N3O2S/c17-9-1-2-14(23)8(3-9)6-20-22-16-21-13(7-25-16)11-4-10(18)5-12(19)15(11)24/h1-7,23-24H,(H,21,22)/b20-6+
InChIKeyODPVGYTVTKGMJI-CGOBSMCZSA-N
MW459.15 g/mol
LogP5.74
Rot. Bonds4

About 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol

2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol (PubChem CID 177477020) has the molecular formula C16H10BrCl2N3O2S and a molecular weight of 459.15 g/mol. Its IUPAC name is 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol
PubChem CID177477020
Molecular FormulaC16H10BrCl2N3O2S
Molecular Weight459.15 g/mol
Exact Mass456.91
IUPAC Name2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol
SMILESOc1ccc(Br)cc1/C=N/Nc1nc(-c2cc(Cl)cc(Cl)c2O)cs1
InChIInChI=1S/C16H10BrCl2N3O2S/c17-9-1-2-14(23)8(3-9)6-20-22-16-21-13(7-25-16)11-4-10(18)5-12(19)15(11)24/h1-7,23-24H,(H,21,22)/b20-6+
InChIKeyODPVGYTVTKGMJI-CGOBSMCZSA-N
XLogP5.74
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.15
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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
4-bromo-2-[(Z)-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 137122821
4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136705021
4-(4-bromophenyl)-N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42370874
3-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6,8-dichlorochromen-2-one
CID 3387814
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310
2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
CID 71600038
1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135648455
2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135822187
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578465
6-bromo-3-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 3123909

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol?
The IUPAC name of 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol (CID 177477020) is 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol?
The canonical SMILES for 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol is Oc1ccc(Br)cc1/C=N/Nc1nc(-c2cc(Cl)cc(Cl)c2O)cs1.
What is the InChIKey of 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol?
The InChIKey is ODPVGYTVTKGMJI-CGOBSMCZSA-N. The full InChI is InChI=1S/C16H10BrCl2N3O2S/c17-9-1-2-14(23)8(3-9)6-20-22-16-21-13(7-25-16)11-4-10(18)5-12(19)15(11)24/h1-7,23-24H,(H,21,22)/b20-6+.
What are the key properties of 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol?
2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol has a molecular weight of 459.15 g/mol, XLogP of 5.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol is sourced from PubChem (CID 177477020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).