3-aminothiophene-2-carboximidamide

C5H7N3S — CID 18536884

IUPAC3-aminothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1sccc1N
InChIInChI=1S/C5H7N3S/c6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H3,7,8)
InChIKeyPUXBRVZNRURVDT-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.61
Rot. Bonds1

About 3-aminothiophene-2-carboximidamide

3-aminothiophene-2-carboximidamide (PubChem CID 18536884) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 3-aminothiophene-2-carboximidamide.

Molecular Properties

Compound Name3-aminothiophene-2-carboximidamide
PubChem CID18536884
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name3-aminothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1sccc1N
InChIInChI=1S/C5H7N3S/c6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H3,7,8)
InChIKeyPUXBRVZNRURVDT-UHFFFAOYSA-N
XLogP0.61
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.61
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'}

Analyze 3-aminothiophene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-aminothiophene-2-carboximidamide?
The IUPAC name of 3-aminothiophene-2-carboximidamide (CID 18536884) is 3-aminothiophene-2-carboximidamide.
What is the SMILES notation for 3-aminothiophene-2-carboximidamide?
The canonical SMILES for 3-aminothiophene-2-carboximidamide is [H]/N=C(\N)c1sccc1N.
What is the InChIKey of 3-aminothiophene-2-carboximidamide?
The InChIKey is PUXBRVZNRURVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H3,7,8).
What are the key properties of 3-aminothiophene-2-carboximidamide?
3-aminothiophene-2-carboximidamide has a molecular weight of 141.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminothiophene-2-carboximidamide is sourced from PubChem (CID 18536884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).