2-(5-bromothiophen-2-yl)propanehydrazide

C7H9BrN2OS — CID 116843844

IUPAC2-(5-bromothiophen-2-yl)propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Br)s1
InChIInChI=1S/C7H9BrN2OS/c1-4(7(11)10-9)5-2-3-6(8)12-5/h2-4H,9H2,1H3,(H,10,11)
InChIKeyCMYVQPZTSMPZSG-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.60
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)propanehydrazide

2-(5-bromothiophen-2-yl)propanehydrazide (PubChem CID 116843844) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)propanehydrazide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)propanehydrazide
PubChem CID116843844
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name2-(5-bromothiophen-2-yl)propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Br)s1
InChIInChI=1S/C7H9BrN2OS/c1-4(7(11)10-9)5-2-3-6(8)12-5/h2-4H,9H2,1H3,(H,10,11)
InChIKeyCMYVQPZTSMPZSG-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507663
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide
CID 119388690
2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride
CID 119599253
2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388689
2-[4-[2-(5-bromothiophen-2-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 119254288
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189
2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471124
2-amino-2-(5-bromothiophen-2-yl)-N',N'-dimethylacetohydrazide
CID 116849789
2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 71870124
(2S)-2-(5-bromothiophen-2-yl)-N-[(3R)-3-cyanothiolan-3-yl]propanamide
CID 96560802

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)propanehydrazide?
The IUPAC name of 2-(5-bromothiophen-2-yl)propanehydrazide (CID 116843844) is 2-(5-bromothiophen-2-yl)propanehydrazide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)propanehydrazide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)propanehydrazide is CC(C(=O)NN)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)propanehydrazide?
The InChIKey is CMYVQPZTSMPZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-4(7(11)10-9)5-2-3-6(8)12-5/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of 2-(5-bromothiophen-2-yl)propanehydrazide?
2-(5-bromothiophen-2-yl)propanehydrazide has a molecular weight of 249.13 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)propanehydrazide is sourced from PubChem (CID 116843844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).