2-(1,3-thiazol-4-yl)guanidine

C4H6N4S — CID 18184088

IUPAC2-(1,3-thiazol-4-yl)guanidine
SMILESNC(N)=Nc1cscn1
InChIInChI=1S/C4H6N4S/c5-4(6)8-3-1-9-2-7-3/h1-2H,(H4,5,6,8)
InChIKeyZZSHLGDEUREHNU-UHFFFAOYSA-N
MW142.19 g/mol
LogP0.05
Rot. Bonds1

About 2-(1,3-thiazol-4-yl)guanidine

2-(1,3-thiazol-4-yl)guanidine (PubChem CID 18184088) has the molecular formula C4H6N4S and a molecular weight of 142.19 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)guanidine.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)guanidine
PubChem CID18184088
Molecular FormulaC4H6N4S
Molecular Weight142.19 g/mol
Exact Mass142.03
IUPAC Name2-(1,3-thiazol-4-yl)guanidine
SMILESNC(N)=Nc1cscn1
InChIInChI=1S/C4H6N4S/c5-4(6)8-3-1-9-2-7-3/h1-2H,(H4,5,6,8)
InChIKeyZZSHLGDEUREHNU-UHFFFAOYSA-N
XLogP0.05
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 50.05
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-(1,3-thiazol-4-yl)guanidine?
The IUPAC name of 2-(1,3-thiazol-4-yl)guanidine (CID 18184088) is 2-(1,3-thiazol-4-yl)guanidine.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)guanidine?
The canonical SMILES for 2-(1,3-thiazol-4-yl)guanidine is NC(N)=Nc1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-yl)guanidine?
The InChIKey is ZZSHLGDEUREHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4S/c5-4(6)8-3-1-9-2-7-3/h1-2H,(H4,5,6,8).
What are the key properties of 2-(1,3-thiazol-4-yl)guanidine?
2-(1,3-thiazol-4-yl)guanidine has a molecular weight of 142.19 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)guanidine is sourced from PubChem (CID 18184088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).