[5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C10H8BrFN4O3S — CID 79765566

IUPAC[5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2c(Br)cc(F)cc2[N+](=O)[O-])s1
InChIInChI=1S/C10H8BrFN4O3S/c11-7-1-5(12)2-8(16(17)18)9(7)19-4-6-3-14-10(15-13)20-6/h1-3H,4,13H2,(H,14,15)
InChIKeyARSOCPZOVXYKFA-UHFFFAOYSA-N
MW363.17 g/mol
LogP2.82
Rot. Bonds5

About [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765566) has the molecular formula C10H8BrFN4O3S and a molecular weight of 363.17 g/mol. Its IUPAC name is [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79765566
Molecular FormulaC10H8BrFN4O3S
Molecular Weight363.17 g/mol
Exact Mass361.95
IUPAC Name[5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2c(Br)cc(F)cc2[N+](=O)[O-])s1
InChIInChI=1S/C10H8BrFN4O3S/c11-7-1-5(12)2-8(16(17)18)9(7)19-4-6-3-14-10(15-13)20-6/h1-3H,4,13H2,(H,14,15)
InChIKeyARSOCPZOVXYKFA-UHFFFAOYSA-N
XLogP2.82
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79765566) is [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2c(Br)cc(F)cc2[N+](=O)[O-])s1.
What is the InChIKey of [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is ARSOCPZOVXYKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O3S/c11-7-1-5(12)2-8(16(17)18)9(7)19-4-6-3-14-10(15-13)20-6/h1-3H,4,13H2,(H,14,15).
What are the key properties of [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 363.17 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).