3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide

C10H16BrN3OS — CID 63584163

IUPAC3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide
SMILESCC(CN(C)Cc1cc(Br)cs1)C(=O)NN
InChIInChI=1S/C10H16BrN3OS/c1-7(10(15)13-12)4-14(2)5-9-3-8(11)6-16-9/h3,6-7H,4-5,12H2,1-2H3,(H,13,15)
InChIKeyXCEQMQNUTXUUGC-UHFFFAOYSA-N
MW306.23 g/mol
LogP1.57
Rot. Bonds5

About 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide

3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide (PubChem CID 63584163) has the molecular formula C10H16BrN3OS and a molecular weight of 306.23 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide
PubChem CID63584163
Molecular FormulaC10H16BrN3OS
Molecular Weight306.23 g/mol
Exact Mass305.02
IUPAC Name3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide
SMILESCC(CN(C)Cc1cc(Br)cs1)C(=O)NN
InChIInChI=1S/C10H16BrN3OS/c1-7(10(15)13-12)4-14(2)5-9-3-8(11)6-16-9/h3,6-7H,4-5,12H2,1-2H3,(H,13,15)
InChIKeyXCEQMQNUTXUUGC-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.57
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

3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
CID 105351841
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methyl-4-oxobutanoic acid
CID 115164633
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
3-[(4-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76910166
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092
(2R)-2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 78976487
1-[(4-bromothiophen-2-yl)methyl-methylamino]-3-(tert-butylamino)propan-2-ol
CID 115475103
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 106591084

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide (CID 63584163) is 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide is CC(CN(C)Cc1cc(Br)cs1)C(=O)NN.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide?
The InChIKey is XCEQMQNUTXUUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3OS/c1-7(10(15)13-12)4-14(2)5-9-3-8(11)6-16-9/h3,6-7H,4-5,12H2,1-2H3,(H,13,15).
What are the key properties of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide?
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide has a molecular weight of 306.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide is sourced from PubChem (CID 63584163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).