N-amino-5-iodo-N'-methylthiophene-3-carboximidamide

C6H8IN3S — CID 79684165

IUPACN-amino-5-iodo-N'-methylthiophene-3-carboximidamide
SMILESC/N=C(\NN)c1csc(I)c1
InChIInChI=1S/C6H8IN3S/c1-9-6(10-8)4-2-5(7)11-3-4/h2-3H,8H2,1H3,(H,9,10)
InChIKeySDVRAXOAWZNDCT-UHFFFAOYSA-N
MW281.12 g/mol
LogP1.19
Rot. Bonds1

About N-amino-5-iodo-N'-methylthiophene-3-carboximidamide

N-amino-5-iodo-N'-methylthiophene-3-carboximidamide (PubChem CID 79684165) has the molecular formula C6H8IN3S and a molecular weight of 281.12 g/mol. Its IUPAC name is N-amino-5-iodo-N'-methylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-5-iodo-N'-methylthiophene-3-carboximidamide
PubChem CID79684165
Molecular FormulaC6H8IN3S
Molecular Weight281.12 g/mol
Exact Mass280.95
IUPAC NameN-amino-5-iodo-N'-methylthiophene-3-carboximidamide
SMILESC/N=C(\NN)c1csc(I)c1
InChIInChI=1S/C6H8IN3S/c1-9-6(10-8)4-2-5(7)11-3-4/h2-3H,8H2,1H3,(H,9,10)
InChIKeySDVRAXOAWZNDCT-UHFFFAOYSA-N
XLogP1.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 51.19
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': 'iodine', '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-iodo-N'-methylthiophene-3-carboximidamide?
The IUPAC name of N-amino-5-iodo-N'-methylthiophene-3-carboximidamide (CID 79684165) is N-amino-5-iodo-N'-methylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-5-iodo-N'-methylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-5-iodo-N'-methylthiophene-3-carboximidamide is C/N=C(\NN)c1csc(I)c1.
What is the InChIKey of N-amino-5-iodo-N'-methylthiophene-3-carboximidamide?
The InChIKey is SDVRAXOAWZNDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3S/c1-9-6(10-8)4-2-5(7)11-3-4/h2-3H,8H2,1H3,(H,9,10).
What are the key properties of N-amino-5-iodo-N'-methylthiophene-3-carboximidamide?
N-amino-5-iodo-N'-methylthiophene-3-carboximidamide has a molecular weight of 281.12 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-5-iodo-N'-methylthiophene-3-carboximidamide is sourced from PubChem (CID 79684165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).