[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine

C12H13BrFN3S — CID 105326577

IUPAC[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1csc(CC(NN)c2ccc(F)cc2Br)n1
InChIInChI=1S/C12H13BrFN3S/c1-7-6-18-12(16-7)5-11(17-15)9-3-2-8(14)4-10(9)13/h2-4,6,11,17H,5,15H2,1H3
InChIKeyHIUJDLGUHVDXRG-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.10
Rot. Bonds4

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

[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105326577) has the molecular formula C12H13BrFN3S and a molecular weight of 330.23 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105326577
Molecular FormulaC12H13BrFN3S
Molecular Weight330.23 g/mol
Exact Mass329.00
IUPAC Name[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1csc(CC(NN)c2ccc(F)cc2Br)n1
InChIInChI=1S/C12H13BrFN3S/c1-7-6-18-12(16-7)5-11(17-15)9-3-2-8(14)4-10(9)13/h2-4,6,11,17H,5,15H2,1H3
InChIKeyHIUJDLGUHVDXRG-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326521
[1-(2-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 106793984
[1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326618
[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107979313
[1-(2,6-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214156
[1-[2-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326538
[1-(2-bromo-4-fluorophenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297744
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796544
1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019465
[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312714
[1-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214246
[2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193895

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (CID 105326577) is [1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is Cc1csc(CC(NN)c2ccc(F)cc2Br)n1.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is HIUJDLGUHVDXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3S/c1-7-6-18-12(16-7)5-11(17-15)9-3-2-8(14)4-10(9)13/h2-4,6,11,17H,5,15H2,1H3.
What are the key properties of [1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine has a molecular weight of 330.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105326577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).