[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine

C10H9BrF2N4S — CID 106271658

IUPAC[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
SMILESNNC(Cc1c(F)ccc(Br)c1F)c1cnsn1
InChIInChI=1S/C10H9BrF2N4S/c11-6-1-2-7(12)5(10(6)13)3-8(16-14)9-4-15-18-17-9/h1-2,4,8,16H,3,14H2
InChIKeyQLEASTDGRSGWRO-UHFFFAOYSA-N
MW335.18 g/mol
LogP2.33
Rot. Bonds4

About [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine

[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine (PubChem CID 106271658) has the molecular formula C10H9BrF2N4S and a molecular weight of 335.18 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
PubChem CID106271658
Molecular FormulaC10H9BrF2N4S
Molecular Weight335.18 g/mol
Exact Mass333.97
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
SMILESNNC(Cc1c(F)ccc(Br)c1F)c1cnsn1
InChIInChI=1S/C10H9BrF2N4S/c11-6-1-2-7(12)5(10(6)13)3-8(16-14)9-4-15-18-17-9/h1-2,4,8,16H,3,14H2
InChIKeyQLEASTDGRSGWRO-UHFFFAOYSA-N
XLogP2.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 114167019
[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271186
[2-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 106271083
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 106271662
[2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
CID 106271490
[2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 106271521
[2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271188
[2-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 106270697
[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 106271793
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
[2-(3-bromo-2,6-difluorophenyl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 106271954
[2-(3-bromophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 105284531

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine (CID 106271658) is [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine is NNC(Cc1c(F)ccc(Br)c1F)c1cnsn1.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine?
The InChIKey is QLEASTDGRSGWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N4S/c11-6-1-2-7(12)5(10(6)13)3-8(16-14)9-4-15-18-17-9/h1-2,4,8,16H,3,14H2.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine?
[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine has a molecular weight of 335.18 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 106271658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).