[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine

C9H7BrClN5O3S — CID 62245676

IUPAC[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7BrClN5O3S/c10-5-1-4(11)2-7(16(17)18)8(5)19-3-6-9(13-12)20-15-14-6/h1-2,13H,3,12H2
InChIKeyJWMANSSCWMYXAG-UHFFFAOYSA-N
MW380.61 g/mol
LogP2.73
Rot. Bonds5

About [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62245676) has the molecular formula C9H7BrClN5O3S and a molecular weight of 380.61 g/mol. Its IUPAC name is [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62245676
Molecular FormulaC9H7BrClN5O3S
Molecular Weight380.61 g/mol
Exact Mass378.91
IUPAC Name[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7BrClN5O3S/c10-5-1-4(11)2-7(16(17)18)8(5)19-3-6-9(13-12)20-15-14-6/h1-2,13H,3,12H2
InChIKeyJWMANSSCWMYXAG-UHFFFAOYSA-N
XLogP2.73
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-chloro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765704
[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 103202262
3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine
CID 104514186
4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide
CID 63569638
methyl 3-(2-bromo-4-chloro-6-nitrophenoxy)-2-methylpropanoate
CID 43538092
[4-[(4-bromo-3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 83140831
[4-[(2-chlorophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244126
1-(2-bromo-4-chloro-6-nitrophenoxy)-3-(propylamino)propan-2-ol
CID 43379234
1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3-nitropyridin-2-one
CID 62245985
2-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-methyloxirane
CID 66335978
[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 107285504
1-(2-bromo-4-chloro-6-nitrophenoxy)-3-(ethylamino)propan-2-ol
CID 43379235

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 62245676) is [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine is NNc1snnc1COc1c(Br)cc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is JWMANSSCWMYXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN5O3S/c10-5-1-4(11)2-7(16(17)18)8(5)19-3-6-9(13-12)20-15-14-6/h1-2,13H,3,12H2.
What are the key properties of [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 380.61 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).