[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine

C12H21BrN4S — CID 105261189

IUPAC[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2cscc2Br)C1
InChIInChI=1S/C12H21BrN4S/c1-16-4-3-5-17(2)11(6-16)12(15-14)9-7-18-8-10(9)13/h7-8,11-12,15H,3-6,14H2,1-2H3
InChIKeyHNQYIIHVYLFREM-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.65
Rot. Bonds3

About [(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine (PubChem CID 105261189) has the molecular formula C12H21BrN4S and a molecular weight of 333.30 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
PubChem CID105261189
Molecular FormulaC12H21BrN4S
Molecular Weight333.30 g/mol
Exact Mass332.07
IUPAC Name[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2cscc2Br)C1
InChIInChI=1S/C12H21BrN4S/c1-16-4-3-5-17(2)11(6-16)12(15-14)9-7-18-8-10(9)13/h7-8,11-12,15H,3-6,14H2,1-2H3
InChIKeyHNQYIIHVYLFREM-UHFFFAOYSA-N
XLogP1.65
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.65
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)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244304
[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261300
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282
[(2-bromo-6-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 114269213
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105261347
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105261273
[(4-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261246
[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105261200
[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261330
3-[(1,4-dimethyl-1,4-diazepan-2-yl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105261374
[(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105261259
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-propylphenyl)methyl]hydrazine
CID 105261179

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine (CID 105261189) is [(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine is CN1CCCN(C)C(C(NN)c2cscc2Br)C1.
What is the InChIKey of [(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
The InChIKey is HNQYIIHVYLFREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4S/c1-16-4-3-5-17(2)11(6-16)12(15-14)9-7-18-8-10(9)13/h7-8,11-12,15H,3-6,14H2,1-2H3.
What are the key properties of [(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine has a molecular weight of 333.30 g/mol, XLogP of 1.65, 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)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105261189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).