[5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C10H9BrN4O3S — CID 79763926

IUPAC[5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc(Br)cc2[N+](=O)[O-])s1
InChIInChI=1S/C10H9BrN4O3S/c11-6-1-2-9(8(3-6)15(16)17)18-5-7-4-13-10(14-12)19-7/h1-4H,5,12H2,(H,13,14)
InChIKeyOCEYSRSRXZRSLF-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.68
Rot. Bonds5

About [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79763926) has the molecular formula C10H9BrN4O3S and a molecular weight of 345.18 g/mol. Its IUPAC name is [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79763926
Molecular FormulaC10H9BrN4O3S
Molecular Weight345.18 g/mol
Exact Mass343.96
IUPAC Name[5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc(Br)cc2[N+](=O)[O-])s1
InChIInChI=1S/C10H9BrN4O3S/c11-6-1-2-9(8(3-6)15(16)17)18-5-7-4-13-10(14-12)19-7/h1-4H,5,12H2,(H,13,14)
InChIKeyOCEYSRSRXZRSLF-UHFFFAOYSA-N
XLogP2.68
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79760663
5-[(4-fluoro-2-nitrophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79761045
5-[(2-Bromo-4-fluoro-6-nitrophenoxy)methyl]-2-chloro-1,3-thiazole
CID 79763980
[5-[(2,5-Difluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764164
[5-[(2-Fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765434
[5-[(4-Fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765441
[5-[(2-Bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765566
5-[(4-Fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774217
5-[(2-Bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774306
N-ethyl-5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774310
5-[(4-Bromo-5-fluoro-2-nitrophenoxy)methyl]-2-chloro-1,3-thiazole
CID 103483194
5-[(4-Bromo-5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-amine
CID 103484059

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79763926) is [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2ccc(Br)cc2[N+](=O)[O-])s1.
What is the InChIKey of [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is OCEYSRSRXZRSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O3S/c11-6-1-2-9(8(3-6)15(16)17)18-5-7-4-13-10(14-12)19-7/h1-4H,5,12H2,(H,13,14).
What are the key properties of [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 345.18 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromo-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79763926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).