[2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine

C11H13BrN4OS — CID 105309441

IUPAC[2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2cnns2)c1
InChIInChI=1S/C11H13BrN4OS/c1-17-8-2-3-9(12)7(4-8)5-10(15-13)11-6-14-16-18-11/h2-4,6,10,15H,5,13H2,1H3
InChIKeyACYCQNDDUWHSJV-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.06
Rot. Bonds5

About [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine

[2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine (PubChem CID 105309441) has the molecular formula C11H13BrN4OS and a molecular weight of 329.22 g/mol. Its IUPAC name is [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
PubChem CID105309441
Molecular FormulaC11H13BrN4OS
Molecular Weight329.22 g/mol
Exact Mass328.00
IUPAC Name[2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2cnns2)c1
InChIInChI=1S/C11H13BrN4OS/c1-17-8-2-3-9(12)7(4-8)5-10(15-13)11-6-14-16-18-11/h2-4,6,10,15H,5,13H2,1H3
InChIKeyACYCQNDDUWHSJV-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-bromo-5-methoxyphenyl)-1-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251145
[2-(2-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 105296596
[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230474
[2-(2-bromo-5-methoxyphenyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105309449
[2-(2-bromo-5-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252149
[2-(2-bromo-5-methoxyphenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105221324
[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215387
[2-(2-bromo-5-methoxyphenyl)-1-(5-ethylfuran-2-yl)ethyl]hydrazine
CID 105309525
[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105309446
[2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
CID 105309443
[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
CID 105309533
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine (CID 105309441) is [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine is COc1ccc(Br)c(CC(NN)c2cnns2)c1.
What is the InChIKey of [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine?
The InChIKey is ACYCQNDDUWHSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4OS/c1-17-8-2-3-9(12)7(4-8)5-10(15-13)11-6-14-16-18-11/h2-4,6,10,15H,5,13H2,1H3.
What are the key properties of [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine?
[2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine has a molecular weight of 329.22 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105309441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).