N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide

C6H7Br2N3S — CID 107965481

IUPACN-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide
SMILESC/N=C(\NN)c1cc(Br)sc1Br
InChIInChI=1S/C6H7Br2N3S/c1-10-6(11-9)3-2-4(7)12-5(3)8/h2H,9H2,1H3,(H,10,11)
InChIKeyFSSIDKLNSZLWPI-UHFFFAOYSA-N
MW313.02 g/mol
LogP2.11
Rot. Bonds1

About N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide

N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide (PubChem CID 107965481) has the molecular formula C6H7Br2N3S and a molecular weight of 313.02 g/mol. Its IUPAC name is N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide
PubChem CID107965481
Molecular FormulaC6H7Br2N3S
Molecular Weight313.02 g/mol
Exact Mass310.87
IUPAC NameN-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide
SMILESC/N=C(\NN)c1cc(Br)sc1Br
InChIInChI=1S/C6H7Br2N3S/c1-10-6(11-9)3-2-4(7)12-5(3)8/h2H,9H2,1H3,(H,10,11)
InChIKeyFSSIDKLNSZLWPI-UHFFFAOYSA-N
XLogP2.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.02
LogP ≤ 52.11
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-2,5-dibromo-N'-methylthiophene-3-carboximidamide?
The IUPAC name of N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide (CID 107965481) is N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide is C/N=C(\NN)c1cc(Br)sc1Br.
What is the InChIKey of N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide?
The InChIKey is FSSIDKLNSZLWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2N3S/c1-10-6(11-9)3-2-4(7)12-5(3)8/h2H,9H2,1H3,(H,10,11).
What are the key properties of N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide?
N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide has a molecular weight of 313.02 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,5-dibromo-N'-methylthiophene-3-carboximidamide is sourced from PubChem (CID 107965481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).