2-thiophen-3-ylguanidine

C5H7N3S — CID 22368084

IUPAC2-thiophen-3-ylguanidine
SMILESNC(N)=Nc1ccsc1
InChIInChI=1S/C5H7N3S/c6-5(7)8-4-1-2-9-3-4/h1-3H,(H4,6,7,8)
InChIKeyGNWHONBLCBBGNW-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.65
Rot. Bonds1

About 2-thiophen-3-ylguanidine

2-thiophen-3-ylguanidine (PubChem CID 22368084) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 2-thiophen-3-ylguanidine.

Molecular Properties

Compound Name2-thiophen-3-ylguanidine
PubChem CID22368084
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name2-thiophen-3-ylguanidine
SMILESNC(N)=Nc1ccsc1
InChIInChI=1S/C5H7N3S/c6-5(7)8-4-1-2-9-3-4/h1-3H,(H4,6,7,8)
InChIKeyGNWHONBLCBBGNW-UHFFFAOYSA-N
XLogP0.65
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.65
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 2-thiophen-3-ylguanidine?
The IUPAC name of 2-thiophen-3-ylguanidine (CID 22368084) is 2-thiophen-3-ylguanidine.
What is the SMILES notation for 2-thiophen-3-ylguanidine?
The canonical SMILES for 2-thiophen-3-ylguanidine is NC(N)=Nc1ccsc1.
What is the InChIKey of 2-thiophen-3-ylguanidine?
The InChIKey is GNWHONBLCBBGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c6-5(7)8-4-1-2-9-3-4/h1-3H,(H4,6,7,8).
What are the key properties of 2-thiophen-3-ylguanidine?
2-thiophen-3-ylguanidine has a molecular weight of 141.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylguanidine is sourced from PubChem (CID 22368084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).