3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide

C15H12BrN3O2S — CID 163174069

IUPAC3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide
SMILES[O-][NH+](O)c1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C15H12BrN3O2S/c16-11-6-4-10(5-7-11)14-9-22-15(18-14)17-12-2-1-3-13(8-12)19(20)21/h1-9,19-20H,(H,17,18)
InChIKeyWNXOTCNYAWWEEY-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.72
Rot. Bonds4

About 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide

3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide (PubChem CID 163174069) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide
PubChem CID163174069
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide
SMILES[O-][NH+](O)c1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C15H12BrN3O2S/c16-11-6-4-10(5-7-11)14-9-22-15(18-14)17-12-2-1-3-13(8-12)19(20)21/h1-9,19-20H,(H,17,18)
InChIKeyWNXOTCNYAWWEEY-UHFFFAOYSA-N
XLogP3.72
TPSA72.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 24505641
N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide
CID 163137065
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338346
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 1211245
3-[2-[(3-amino-2-carbamoyl-3-oxoprop-1-enyl)amino]-1,3-thiazol-4-yl]-N-hydroxybenzeneamine oxide;hydrochloride
CID 21142785

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide?
The IUPAC name of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide (CID 163174069) is 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide is [O-][NH+](O)c1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide?
The InChIKey is WNXOTCNYAWWEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c16-11-6-4-10(5-7-11)14-9-22-15(18-14)17-12-2-1-3-13(8-12)19(20)21/h1-9,19-20H,(H,17,18).
What are the key properties of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide?
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide has a molecular weight of 378.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 163174069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).