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

C13H23BrN4S — CID 105261330

IUPAC[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
SMILESCN1CCCN(C)C(C(Cc2cc(Br)cs2)NN)C1
InChIInChI=1S/C13H23BrN4S/c1-17-4-3-5-18(2)13(8-17)12(16-15)7-11-6-10(14)9-19-11/h6,9,12-13,16H,3-5,7-8,15H2,1-2H3
InChIKeyIZCIBMUGQIZEFH-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.52
Rot. Bonds4

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

[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine (PubChem CID 105261330) has the molecular formula C13H23BrN4S and a molecular weight of 347.33 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
PubChem CID105261330
Molecular FormulaC13H23BrN4S
Molecular Weight347.33 g/mol
Exact Mass346.08
IUPAC Name[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
SMILESCN1CCCN(C)C(C(Cc2cc(Br)cs2)NN)C1
InChIInChI=1S/C13H23BrN4S/c1-17-4-3-5-18(2)13(8-17)12(16-15)7-11-6-10(14)9-19-11/h6,9,12-13,16H,3-5,7-8,15H2,1-2H3
InChIKeyIZCIBMUGQIZEFH-UHFFFAOYSA-N
XLogP1.52
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.52
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-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105261332
[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
[2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247367
[2-(2,6-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261363
[2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247302
[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261189
[2-(3-chloro-4-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 103044060
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 107895279
2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444806
1-(1,4-dimethyl-1,4-diazepan-2-yl)pentylhydrazine
CID 105261145
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-phenylpropyl]hydrazine
CID 105261185
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine (CID 105261330) is [2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine is CN1CCCN(C)C(C(Cc2cc(Br)cs2)NN)C1.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
The InChIKey is IZCIBMUGQIZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4S/c1-17-4-3-5-18(2)13(8-17)12(16-15)7-11-6-10(14)9-19-11/h6,9,12-13,16H,3-5,7-8,15H2,1-2H3.
What are the key properties of [2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine has a molecular weight of 347.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105261330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).