3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide

C8H11BrN2OS — CID 116846336

IUPAC3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1ccc(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-10-11-8(12)5-3-6-2-4-7(9)13-6/h2,4,10H,3,5H2,1H3,(H,11,12)
InChIKeyNGQVDFVJHRMKQY-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.69
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide

3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide (PubChem CID 116846336) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide
PubChem CID116846336
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1ccc(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-10-11-8(12)5-3-6-2-4-7(9)13-6/h2,4,10H,3,5H2,1H3,(H,11,12)
InChIKeyNGQVDFVJHRMKQY-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide?
The IUPAC name of 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide (CID 116846336) is 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide is CNNC(=O)CCc1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide?
The InChIKey is NGQVDFVJHRMKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-10-11-8(12)5-3-6-2-4-7(9)13-6/h2,4,10H,3,5H2,1H3,(H,11,12).
What are the key properties of 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide?
3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide has a molecular weight of 263.16 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide is sourced from PubChem (CID 116846336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).