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

C14H15BrN2O2S — CID 105230271

IUPAC[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
SMILESNNC(Cc1sccc1Br)C1COc2ccccc2O1
InChIInChI=1S/C14H15BrN2O2S/c15-9-5-6-20-14(9)7-10(17-16)13-8-18-11-3-1-2-4-12(11)19-13/h1-6,10,13,17H,7-8,16H2
InChIKeyRDYKXNJJRPQXLP-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.72
Rot. Bonds4

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

[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine (PubChem CID 105230271) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
PubChem CID105230271
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
SMILESNNC(Cc1sccc1Br)C1COc2ccccc2O1
InChIInChI=1S/C14H15BrN2O2S/c15-9-5-6-20-14(9)7-10(17-16)13-8-18-11-3-1-2-4-12(11)19-13/h1-6,10,13,17H,7-8,16H2
InChIKeyRDYKXNJJRPQXLP-UHFFFAOYSA-N
XLogP2.72
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.72
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'}

Analyze [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine
CID 106602208
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(furan-3-yl)ethyl]hydrazine
CID 105230199
[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249733
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105230188
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105230174
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
CID 105230212
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105299519
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
CID 105230151
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 78986031
[2-(3-bromothiophen-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105299620
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823829

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine (CID 105230271) is [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine is NNC(Cc1sccc1Br)C1COc2ccccc2O1.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine?
The InChIKey is RDYKXNJJRPQXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c15-9-5-6-20-14(9)7-10(17-16)13-8-18-11-3-1-2-4-12(11)19-13/h1-6,10,13,17H,7-8,16H2.
What are the key properties of [2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine?
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine has a molecular weight of 355.26 g/mol, XLogP of 2.72, 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-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105230271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).