[(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine

C9H11BrN4S — CID 105264557

IUPAC[(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cncc1C(NN)c1cscc1Br
InChIInChI=1S/C9H11BrN4S/c1-14-5-12-2-8(14)9(13-11)6-3-15-4-7(6)10/h2-5,9,13H,11H2,1H3
InChIKeyTUPZTDVYQGMUGT-UHFFFAOYSA-N
MW287.19 g/mol
LogP1.80
Rot. Bonds3

About [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine (PubChem CID 105264557) has the molecular formula C9H11BrN4S and a molecular weight of 287.19 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine
PubChem CID105264557
Molecular FormulaC9H11BrN4S
Molecular Weight287.19 g/mol
Exact Mass285.99
IUPAC Name[(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cncc1C(NN)c1cscc1Br
InChIInChI=1S/C9H11BrN4S/c1-14-5-12-2-8(14)9(13-11)6-3-15-4-7(6)10/h2-5,9,13H,11H2,1H3
InChIKeyTUPZTDVYQGMUGT-UHFFFAOYSA-N
XLogP1.80
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 51.80
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

[(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105322625
[(4-bromothiophen-3-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261433
[(2,5-dichlorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264678
[(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264680
[(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504847
[(4-bromothiophen-3-yl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105322526
[(4-methoxy-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264785
[(5-bromo-2-pyridinyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 105267652
[furan-2-yl-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264528
[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264597
[(4-fluoro-3-methylphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264560
[(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methyl]hydrazine
CID 105322667

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine (CID 105264557) is [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine is Cn1cncc1C(NN)c1cscc1Br.
What is the InChIKey of [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine?
The InChIKey is TUPZTDVYQGMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4S/c1-14-5-12-2-8(14)9(13-11)6-3-15-4-7(6)10/h2-5,9,13H,11H2,1H3.
What are the key properties of [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine has a molecular weight of 287.19 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105264557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).