5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride

C6H11Cl2N3S — CID 22716030

IUPAC5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1csc(CN)c1
InChIInChI=1S/C6H9N3S.2ClH/c7-2-5-1-4(3-10-5)6(8)9;;/h1,3H,2,7H2,(H3,8,9);2*1H
InChIKeyGRWJYBPRAOPQPX-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.33
Rot. Bonds2

About 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride

5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride (PubChem CID 22716030) has the molecular formula C6H11Cl2N3S and a molecular weight of 228.15 g/mol. Its IUPAC name is 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride
PubChem CID22716030
Molecular FormulaC6H11Cl2N3S
Molecular Weight228.15 g/mol
Exact Mass227.01
IUPAC Name5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1csc(CN)c1
InChIInChI=1S/C6H9N3S.2ClH/c7-2-5-1-4(3-10-5)6(8)9;;/h1,3H,2,7H2,(H3,8,9);2*1H
InChIKeyGRWJYBPRAOPQPX-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride?
The IUPAC name of 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride (CID 22716030) is 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride?
The InChIKey is GRWJYBPRAOPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S.2ClH/c7-2-5-1-4(3-10-5)6(8)9;;/h1,3H,2,7H2,(H3,8,9);2*1H.
What are the key properties of 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride?
5-(aminomethyl)thiophene-3-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 5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride is sourced from PubChem (CID 22716030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).