4-(aminomethyl)thiophene-2-carboximidamide

C6H9N3S — CID 22716001

IUPAC4-(aminomethyl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN)cs1
InChIInChI=1S/C6H9N3S/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,2,7H2,(H3,8,9)
InChIKeyZMQVMCOVSGABLN-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.49
Rot. Bonds2

About 4-(aminomethyl)thiophene-2-carboximidamide

4-(aminomethyl)thiophene-2-carboximidamide (PubChem CID 22716001) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 4-(aminomethyl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name4-(aminomethyl)thiophene-2-carboximidamide
PubChem CID22716001
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name4-(aminomethyl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN)cs1
InChIInChI=1S/C6H9N3S/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,2,7H2,(H3,8,9)
InChIKeyZMQVMCOVSGABLN-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 4-(aminomethyl)thiophene-2-carboximidamide?
The IUPAC name of 4-(aminomethyl)thiophene-2-carboximidamide (CID 22716001) is 4-(aminomethyl)thiophene-2-carboximidamide.
What is the SMILES notation for 4-(aminomethyl)thiophene-2-carboximidamide?
The canonical SMILES for 4-(aminomethyl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(CN)cs1.
What is the InChIKey of 4-(aminomethyl)thiophene-2-carboximidamide?
The InChIKey is ZMQVMCOVSGABLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,2,7H2,(H3,8,9).
What are the key properties of 4-(aminomethyl)thiophene-2-carboximidamide?
4-(aminomethyl)thiophene-2-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 4-(aminomethyl)thiophene-2-carboximidamide is sourced from PubChem (CID 22716001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).