N'-amino-5-bromothiophene-2-carboximidamide

C5H6BrN3S — CID 61351595

IUPACN'-amino-5-bromothiophene-2-carboximidamide
SMILESNN=C(N)c1ccc(Br)s1
InChIInChI=1S/C5H6BrN3S/c6-4-2-1-3(10-4)5(7)9-8/h1-2H,8H2,(H2,7,9)
InChIKeyGSXIEBIOUWKJHG-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.09
Rot. Bonds1

About N'-amino-5-bromothiophene-2-carboximidamide

N'-amino-5-bromothiophene-2-carboximidamide (PubChem CID 61351595) has the molecular formula C5H6BrN3S and a molecular weight of 220.09 g/mol. Its IUPAC name is N'-amino-5-bromothiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-5-bromothiophene-2-carboximidamide
PubChem CID61351595
Molecular FormulaC5H6BrN3S
Molecular Weight220.09 g/mol
Exact Mass218.95
IUPAC NameN'-amino-5-bromothiophene-2-carboximidamide
SMILESNN=C(N)c1ccc(Br)s1
InChIInChI=1S/C5H6BrN3S/c6-4-2-1-3(10-4)5(7)9-8/h1-2H,8H2,(H2,7,9)
InChIKeyGSXIEBIOUWKJHG-UHFFFAOYSA-N
XLogP1.09
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-5-bromothiophene-2-carboximidamide?
The IUPAC name of N'-amino-5-bromothiophene-2-carboximidamide (CID 61351595) is N'-amino-5-bromothiophene-2-carboximidamide.
What is the SMILES notation for N'-amino-5-bromothiophene-2-carboximidamide?
The canonical SMILES for N'-amino-5-bromothiophene-2-carboximidamide is NN=C(N)c1ccc(Br)s1.
What is the InChIKey of N'-amino-5-bromothiophene-2-carboximidamide?
The InChIKey is GSXIEBIOUWKJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3S/c6-4-2-1-3(10-4)5(7)9-8/h1-2H,8H2,(H2,7,9).
What are the key properties of N'-amino-5-bromothiophene-2-carboximidamide?
N'-amino-5-bromothiophene-2-carboximidamide has a molecular weight of 220.09 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-5-bromothiophene-2-carboximidamide is sourced from PubChem (CID 61351595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).