3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide

C8H11BrN2OS — CID 116846376

IUPAC3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1cc(Br)cs1
InChIInChI=1S/C8H11BrN2OS/c1-10-11-8(12)3-2-7-4-6(9)5-13-7/h4-5,10H,2-3H2,1H3,(H,11,12)
InChIKeyFMIVVPVNKMYXPV-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.69
Rot. Bonds4

About 3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide

3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide (PubChem CID 116846376) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide
PubChem CID116846376
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1cc(Br)cs1
InChIInChI=1S/C8H11BrN2OS/c1-10-11-8(12)3-2-7-4-6(9)5-13-7/h4-5,10H,2-3H2,1H3,(H,11,12)
InChIKeyFMIVVPVNKMYXPV-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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Related Compounds

3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 131963103
3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide
CID 116846336
(2R)-2-[3-(4-bromothiophen-2-yl)propanoylamino]-3-methylbutanoic acid
CID 119368217
2-[3-(4-bromothiophen-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188027
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119499711
2-[[3-(4-bromothiophen-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119252765
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119600366
N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide
CID 119592141
(2R)-2-[3-(4-bromothiophen-2-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366912
N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
CID 115193942
1-(4-bromothiophen-2-yl)-4-(methylamino)butan-2-one
CID 116561191

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide?
The IUPAC name of 3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide (CID 116846376) is 3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide is CNNC(=O)CCc1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide?
The InChIKey is FMIVVPVNKMYXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-10-11-8(12)3-2-7-4-6(9)5-13-7/h4-5,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide?
3-(4-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-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide is sourced from PubChem (CID 116846376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).