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

C8H12BrN3OS — CID 116849246

IUPAC3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)CC(N)c1cc(Br)cs1
InChIInChI=1S/C8H12BrN3OS/c1-12(11)8(13)3-6(10)7-2-5(9)4-14-7/h2,4,6H,3,10-11H2,1H3
InChIKeyJSTBGFLHCKDKKS-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.23
Rot. Bonds3

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

3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide (PubChem CID 116849246) has the molecular formula C8H12BrN3OS and a molecular weight of 278.18 g/mol. Its IUPAC name is 3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide
PubChem CID116849246
Molecular FormulaC8H12BrN3OS
Molecular Weight278.18 g/mol
Exact Mass276.99
IUPAC Name3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)CC(N)c1cc(Br)cs1
InChIInChI=1S/C8H12BrN3OS/c1-12(11)8(13)3-6(10)7-2-5(9)4-14-7/h2,4,6H,3,10-11H2,1H3
InChIKeyJSTBGFLHCKDKKS-UHFFFAOYSA-N
XLogP1.23
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
CID 116914263
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
CID 54595909
(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523
ethyl (3R)-3-amino-3-(4-bromothiophen-2-yl)-2-fluoropropanoate;hydrochloride
CID 171245711
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
methyl 2-[amino-(4-bromothiophen-2-yl)methyl]-3-methylbutanoate
CID 116946092
2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 55155295

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide?
The IUPAC name of 3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide (CID 116849246) is 3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide.
What is the SMILES notation for 3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide?
The canonical SMILES for 3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide is CN(N)C(=O)CC(N)c1cc(Br)cs1.
What is the InChIKey of 3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide?
The InChIKey is JSTBGFLHCKDKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3OS/c1-12(11)8(13)3-6(10)7-2-5(9)4-14-7/h2,4,6H,3,10-11H2,1H3.
What are the key properties of 3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide?
3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide has a molecular weight of 278.18 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide is sourced from PubChem (CID 116849246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).