2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide

C9H14BrN3OS — CID 116849920

IUPAC2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)C(N)Cc1ccc(Br)s1
InChIInChI=1S/C9H14BrN3OS/c1-13(2)12-9(14)7(11)5-6-3-4-8(10)15-6/h3-4,7H,5,11H2,1-2H3,(H,12,14)
InChIKeyKJESERDFXLIAJC-UHFFFAOYSA-N
MW292.20 g/mol
LogP0.97
Rot. Bonds4

About 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide

2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide (PubChem CID 116849920) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide
PubChem CID116849920
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC Name2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)C(N)Cc1ccc(Br)s1
InChIInChI=1S/C9H14BrN3OS/c1-13(2)12-9(14)7(11)5-6-3-4-8(10)15-6/h3-4,7H,5,11H2,1-2H3,(H,12,14)
InChIKeyKJESERDFXLIAJC-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide (CID 116849920) is 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide is CN(C)NC(=O)C(N)Cc1ccc(Br)s1.
What is the InChIKey of 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide?
The InChIKey is KJESERDFXLIAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c1-13(2)12-9(14)7(11)5-6-3-4-8(10)15-6/h3-4,7H,5,11H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide?
2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide has a molecular weight of 292.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116849920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).