thiophene-2-carboximidamide

C5H6N2S — CID 2781760

IUPACthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cccs1
InChIInChI=1S/C5H6N2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H3,6,7)
InChIKeyQSELGEUCFNFITD-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.03
Rot. Bonds1

About thiophene-2-carboximidamide

thiophene-2-carboximidamide (PubChem CID 2781760) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is thiophene-2-carboximidamide.

Molecular Properties

Compound Namethiophene-2-carboximidamide
PubChem CID2781760
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Namethiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cccs1
InChIInChI=1S/C5H6N2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H3,6,7)
InChIKeyQSELGEUCFNFITD-UHFFFAOYSA-N
XLogP1.03
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 thiophene-2-carboximidamide?
The IUPAC name of thiophene-2-carboximidamide (CID 2781760) is thiophene-2-carboximidamide.
What is the SMILES notation for thiophene-2-carboximidamide?
The canonical SMILES for thiophene-2-carboximidamide is [H]/N=C(\N)c1cccs1.
What is the InChIKey of thiophene-2-carboximidamide?
The InChIKey is QSELGEUCFNFITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H3,6,7).
What are the key properties of thiophene-2-carboximidamide?
thiophene-2-carboximidamide has a molecular weight of 126.18 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carboximidamide is sourced from PubChem (CID 2781760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).