2-(5-methyl-1,3-thiazol-2-yl)guanidine

C5H8N4S — CID 23545906

IUPAC2-(5-methyl-1,3-thiazol-2-yl)guanidine
SMILESCc1cnc(N=C(N)N)s1
InChIInChI=1S/C5H8N4S/c1-3-2-8-5(10-3)9-4(6)7/h2H,1H3,(H4,6,7,8,9)
InChIKeyOXXOAGGAIBIIMB-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.36
Rot. Bonds1

About 2-(5-methyl-1,3-thiazol-2-yl)guanidine

2-(5-methyl-1,3-thiazol-2-yl)guanidine (PubChem CID 23545906) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-2-yl)guanidine
PubChem CID23545906
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name2-(5-methyl-1,3-thiazol-2-yl)guanidine
SMILESCc1cnc(N=C(N)N)s1
InChIInChI=1S/C5H8N4S/c1-3-2-8-5(10-3)9-4(6)7/h2H,1H3,(H4,6,7,8,9)
InChIKeyOXXOAGGAIBIIMB-UHFFFAOYSA-N
XLogP0.36
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.36
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-(5-methyl-1,3-thiazol-2-yl)guanidine?
The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)guanidine (CID 23545906) is 2-(5-methyl-1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)guanidine is Cc1cnc(N=C(N)N)s1.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)guanidine?
The InChIKey is OXXOAGGAIBIIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-3-2-8-5(10-3)9-4(6)7/h2H,1H3,(H4,6,7,8,9).
What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)guanidine?
2-(5-methyl-1,3-thiazol-2-yl)guanidine has a molecular weight of 156.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 23545906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).