4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride

C6H11Cl2N3S — CID 22716000

IUPAC4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cc(CN)cs1
InChIInChI=1S/C6H9N3S.2ClH/c7-2-4-1-5(6(8)9)10-3-4;;/h1,3H,2,7H2,(H3,8,9);2*1H
InChIKeyYHDGGDMPQXEXHM-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.33
Rot. Bonds2

About 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride

4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride (PubChem CID 22716000) has the molecular formula C6H11Cl2N3S and a molecular weight of 228.15 g/mol. Its IUPAC name is 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride
PubChem CID22716000
Molecular FormulaC6H11Cl2N3S
Molecular Weight228.15 g/mol
Exact Mass227.01
IUPAC Name4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cc(CN)cs1
InChIInChI=1S/C6H9N3S.2ClH/c7-2-4-1-5(6(8)9)10-3-4;;/h1,3H,2,7H2,(H3,8,9);2*1H
InChIKeyYHDGGDMPQXEXHM-UHFFFAOYSA-N
XLogP1.33
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.33
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 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride 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 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride (CID 22716000) is 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1cc(CN)cs1.
What is the InChIKey of 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is YHDGGDMPQXEXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S.2ClH/c7-2-4-1-5(6(8)9)10-3-4;;/h1,3H,2,7H2,(H3,8,9);2*1H.
What are the key properties of 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride?
4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 228.15 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 22716000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).