5-(aminomethyl)thiophene-3-carboximidamide

C6H9N3S — CID 22716031

IUPAC5-(aminomethyl)thiophene-3-carboximidamide
SMILES[H]/N=C(\N)c1csc(CN)c1
InChIInChI=1S/C6H9N3S/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,2,7H2,(H3,8,9)
InChIKeyXSBKMBAGHOKUAI-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.49
Rot. Bonds2

About 5-(aminomethyl)thiophene-3-carboximidamide

5-(aminomethyl)thiophene-3-carboximidamide (PubChem CID 22716031) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 5-(aminomethyl)thiophene-3-carboximidamide.

Molecular Properties

Compound Name5-(aminomethyl)thiophene-3-carboximidamide
PubChem CID22716031
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name5-(aminomethyl)thiophene-3-carboximidamide
SMILES[H]/N=C(\N)c1csc(CN)c1
InChIInChI=1S/C6H9N3S/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,2,7H2,(H3,8,9)
InChIKeyXSBKMBAGHOKUAI-UHFFFAOYSA-N
XLogP0.49
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)thiophene-3-carboximidamide?
The IUPAC name of 5-(aminomethyl)thiophene-3-carboximidamide (CID 22716031) is 5-(aminomethyl)thiophene-3-carboximidamide.
What is the SMILES notation for 5-(aminomethyl)thiophene-3-carboximidamide?
The canonical SMILES for 5-(aminomethyl)thiophene-3-carboximidamide is [H]/N=C(\N)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)thiophene-3-carboximidamide?
The InChIKey is XSBKMBAGHOKUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,2,7H2,(H3,8,9).
What are the key properties of 5-(aminomethyl)thiophene-3-carboximidamide?
5-(aminomethyl)thiophene-3-carboximidamide has a molecular weight of 155.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)thiophene-3-carboximidamide is sourced from PubChem (CID 22716031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).