4-bromo-N-(bromomethyl)thiophen-2-amine

C5H5Br2NS — CID 115261580

IUPAC4-bromo-N-(bromomethyl)thiophen-2-amine
SMILESBrCNc1cc(Br)cs1
InChIInChI=1S/C5H5Br2NS/c6-3-8-5-1-4(7)2-9-5/h1-2,8H,3H2
InChIKeyXYLHAPYIJQMGEF-UHFFFAOYSA-N
MW270.98 g/mol
LogP3.27
Rot. Bonds2

About 4-bromo-N-(bromomethyl)thiophen-2-amine

4-bromo-N-(bromomethyl)thiophen-2-amine (PubChem CID 115261580) has the molecular formula C5H5Br2NS and a molecular weight of 270.98 g/mol. Its IUPAC name is 4-bromo-N-(bromomethyl)thiophen-2-amine.

Molecular Properties

Compound Name4-bromo-N-(bromomethyl)thiophen-2-amine
PubChem CID115261580
Molecular FormulaC5H5Br2NS
Molecular Weight270.98 g/mol
Exact Mass268.85
IUPAC Name4-bromo-N-(bromomethyl)thiophen-2-amine
SMILESBrCNc1cc(Br)cs1
InChIInChI=1S/C5H5Br2NS/c6-3-8-5-1-4(7)2-9-5/h1-2,8H,3H2
InChIKeyXYLHAPYIJQMGEF-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.98
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[(4-bromothiophen-2-yl)amino]butan-2-one
CID 115235409
4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine
CID 115246053
methyl 4-[(4-bromothiophen-2-yl)amino]-3-hydroxybutanoate
CID 115123221
4-[(4-bromothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165537
N-(4-bromothiophen-2-yl)-4-hydroxybutanamide
CID 115162800
3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide
CID 115180285
N-(4-bromothiophen-2-yl)-2-piperidin-4-ylacetamide
CID 115160642
2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide
CID 115119280
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
4-bromo-2-tert-butylthiophene
CID 20594406
4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene
CID 112570643

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(bromomethyl)thiophen-2-amine?
The IUPAC name of 4-bromo-N-(bromomethyl)thiophen-2-amine (CID 115261580) is 4-bromo-N-(bromomethyl)thiophen-2-amine.
What is the SMILES notation for 4-bromo-N-(bromomethyl)thiophen-2-amine?
The canonical SMILES for 4-bromo-N-(bromomethyl)thiophen-2-amine is BrCNc1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(bromomethyl)thiophen-2-amine?
The InChIKey is XYLHAPYIJQMGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2NS/c6-3-8-5-1-4(7)2-9-5/h1-2,8H,3H2.
What are the key properties of 4-bromo-N-(bromomethyl)thiophen-2-amine?
4-bromo-N-(bromomethyl)thiophen-2-amine has a molecular weight of 270.98 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(bromomethyl)thiophen-2-amine is sourced from PubChem (CID 115261580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).