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

C6H10N4S — CID 141083640

IUPAC2-[2-(1,3-thiazol-5-yl)ethyl]guanidine
SMILESNC(N)=NCCc1cncs1
InChIInChI=1S/C6H10N4S/c7-6(8)10-2-1-5-3-9-4-11-5/h3-4H,1-2H2,(H4,7,8,10)
InChIKeyWDGQCFAMCOPFJS-UHFFFAOYSA-N
MW170.24 g/mol
LogP-0.04
Rot. Bonds3

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

2-[2-(1,3-thiazol-5-yl)ethyl]guanidine (PubChem CID 141083640) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-5-yl)ethyl]guanidine
PubChem CID141083640
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name2-[2-(1,3-thiazol-5-yl)ethyl]guanidine
SMILESNC(N)=NCCc1cncs1
InChIInChI=1S/C6H10N4S/c7-6(8)10-2-1-5-3-9-4-11-5/h3-4H,1-2H2,(H4,7,8,10)
InChIKeyWDGQCFAMCOPFJS-UHFFFAOYSA-N
XLogP-0.04
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 5-0.04
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-(1,3-thiazol-5-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(1,3-thiazol-5-yl)ethyl]guanidine (CID 141083640) is 2-[2-(1,3-thiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(1,3-thiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(1,3-thiazol-5-yl)ethyl]guanidine is NC(N)=NCCc1cncs1.
What is the InChIKey of 2-[2-(1,3-thiazol-5-yl)ethyl]guanidine?
The InChIKey is WDGQCFAMCOPFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c7-6(8)10-2-1-5-3-9-4-11-5/h3-4H,1-2H2,(H4,7,8,10).
What are the key properties of 2-[2-(1,3-thiazol-5-yl)ethyl]guanidine?
2-[2-(1,3-thiazol-5-yl)ethyl]guanidine has a molecular weight of 170.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 141083640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).