[2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine

C12H21BrN4S — CID 105247367

IUPAC[2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
SMILESCN1CCN(C)C(C(Cc2sccc2Br)NN)C1
InChIInChI=1S/C12H21BrN4S/c1-16-4-5-17(2)11(8-16)10(15-14)7-12-9(13)3-6-18-12/h3,6,10-11,15H,4-5,7-8,14H2,1-2H3
InChIKeySSACVDYWLYOCQS-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.13
Rot. Bonds4

About [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine

[2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine (PubChem CID 105247367) has the molecular formula C12H21BrN4S and a molecular weight of 333.30 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
PubChem CID105247367
Molecular FormulaC12H21BrN4S
Molecular Weight333.30 g/mol
Exact Mass332.07
IUPAC Name[2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
SMILESCN1CCN(C)C(C(Cc2sccc2Br)NN)C1
InChIInChI=1S/C12H21BrN4S/c1-16-4-5-17(2)11(8-16)10(15-14)7-12-9(13)3-6-18-12/h3,6,10-11,15H,4-5,7-8,14H2,1-2H3
InChIKeySSACVDYWLYOCQS-UHFFFAOYSA-N
XLogP1.13
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.13
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

[2-(3-bromothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446358
[2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247302
[2-(5-bromo-2-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247256
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247183
[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261330
[2-(3,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105412951
[2-(2,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247218
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
[2-(3-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258979
2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093041
[1-(1,4-dimethylpiperazin-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105247353
[2-(3-bromothiophen-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105299620

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine (CID 105247367) is [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine is CN1CCN(C)C(C(Cc2sccc2Br)NN)C1.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine?
The InChIKey is SSACVDYWLYOCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4S/c1-16-4-5-17(2)11(8-16)10(15-14)7-12-9(13)3-6-18-12/h3,6,10-11,15H,4-5,7-8,14H2,1-2H3.
What are the key properties of [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine?
[2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine has a molecular weight of 333.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105247367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).