2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine

C6H9BrN4S — CID 130616108

IUPAC2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine
SMILESNC(N)=NCCc1ncc(Br)s1
InChIInChI=1S/C6H9BrN4S/c7-4-3-11-5(12-4)1-2-10-6(8)9/h3H,1-2H2,(H4,8,9,10)
InChIKeyGGPSZBZPSULWMA-UHFFFAOYSA-N
MW249.14 g/mol
LogP0.72
Rot. Bonds3

About 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine

2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine (PubChem CID 130616108) has the molecular formula C6H9BrN4S and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine
PubChem CID130616108
Molecular FormulaC6H9BrN4S
Molecular Weight249.14 g/mol
Exact Mass247.97
IUPAC Name2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine
SMILESNC(N)=NCCc1ncc(Br)s1
InChIInChI=1S/C6H9BrN4S/c7-4-3-11-5(12-4)1-2-10-6(8)9/h3H,1-2H2,(H4,8,9,10)
InChIKeyGGPSZBZPSULWMA-UHFFFAOYSA-N
XLogP0.72
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 50.72
H-Bond Donors ≤ 52
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 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine (CID 130616108) is 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine is NC(N)=NCCc1ncc(Br)s1.
What is the InChIKey of 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine?
The InChIKey is GGPSZBZPSULWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4S/c7-4-3-11-5(12-4)1-2-10-6(8)9/h3H,1-2H2,(H4,8,9,10).
What are the key properties of 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine?
2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine has a molecular weight of 249.14 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine is sourced from PubChem (CID 130616108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).