N-amino-N'-methylthiophene-3-carboximidamide

C6H9N3S — CID 61361049

IUPACN-amino-N'-methylthiophene-3-carboximidamide
SMILESC/N=C(\NN)c1ccsc1
InChIInChI=1S/C6H9N3S/c1-8-6(9-7)5-2-3-10-4-5/h2-4H,7H2,1H3,(H,8,9)
InChIKeyNUHLMGJBXQLSPW-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.59
Rot. Bonds1

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

N-amino-N'-methylthiophene-3-carboximidamide (PubChem CID 61361049) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is N-amino-N'-methylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methylthiophene-3-carboximidamide
PubChem CID61361049
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC NameN-amino-N'-methylthiophene-3-carboximidamide
SMILESC/N=C(\NN)c1ccsc1
InChIInChI=1S/C6H9N3S/c1-8-6(9-7)5-2-3-10-4-5/h2-4H,7H2,1H3,(H,8,9)
InChIKeyNUHLMGJBXQLSPW-UHFFFAOYSA-N
XLogP0.59
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.59
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-N'-methylthiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-methylthiophene-3-carboximidamide (CID 61361049) is N-amino-N'-methylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-methylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-methylthiophene-3-carboximidamide is C/N=C(\NN)c1ccsc1.
What is the InChIKey of N-amino-N'-methylthiophene-3-carboximidamide?
The InChIKey is NUHLMGJBXQLSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-8-6(9-7)5-2-3-10-4-5/h2-4H,7H2,1H3,(H,8,9).
What are the key properties of N-amino-N'-methylthiophene-3-carboximidamide?
N-amino-N'-methylthiophene-3-carboximidamide has a molecular weight of 155.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methylthiophene-3-carboximidamide is sourced from PubChem (CID 61361049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).