[1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

C13H16BrN3OS — CID 105316196

IUPAC[1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(C(Cc2csc(C)n2)NN)c1
InChIInChI=1S/C13H16BrN3OS/c1-8-16-9(7-19-8)5-13(17-15)11-6-10(18-2)3-4-12(11)14/h3-4,6-7,13,17H,5,15H2,1-2H3
InChIKeyQZCLHFMVTOBKCN-UHFFFAOYSA-N
MW342.26 g/mol
LogP2.97
Rot. Bonds5

About [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

[1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105316196) has the molecular formula C13H16BrN3OS and a molecular weight of 342.26 g/mol. Its IUPAC name is [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
PubChem CID105316196
Molecular FormulaC13H16BrN3OS
Molecular Weight342.26 g/mol
Exact Mass341.02
IUPAC Name[1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(C(Cc2csc(C)n2)NN)c1
InChIInChI=1S/C13H16BrN3OS/c1-8-16-9(7-19-8)5-13(17-15)11-6-10(18-2)3-4-12(11)14/h3-4,6-7,13,17H,5,15H2,1-2H3
InChIKeyQZCLHFMVTOBKCN-UHFFFAOYSA-N
XLogP2.97
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62799340
[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316087
[1-(5-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214806
[1-(2-bromo-5-methoxyphenyl)-2-methoxyethyl]hydrazine
CID 105321682
[1-(4-methoxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105258441
[1-(5-chloro-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316256
[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105214788
[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251888
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine
CID 105281554
[1-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316230
[2-(5-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethyl]hydrazine
CID 105294959

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (CID 105316196) is [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is COc1ccc(Br)c(C(Cc2csc(C)n2)NN)c1.
What is the InChIKey of [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The InChIKey is QZCLHFMVTOBKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3OS/c1-8-16-9(7-19-8)5-13(17-15)11-6-10(18-2)3-4-12(11)14/h3-4,6-7,13,17H,5,15H2,1-2H3.
What are the key properties of [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
[1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine has a molecular weight of 342.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105316196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).