2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine

C5H8N4OS — CID 18830431

IUPAC2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine
SMILESCC1SC(N=C(N)N)=NC1=O
InChIInChI=1S/C5H8N4OS/c1-2-3(10)8-5(11-2)9-4(6)7/h2H,1H3,(H4,6,7,8,9,10)
InChIKeyPQBXTUPADJMVTO-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.72
Rot. Bonds

About 2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine

2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine (PubChem CID 18830431) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine
PubChem CID18830431
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine
SMILESCC1SC(N=C(N)N)=NC1=O
InChIInChI=1S/C5H8N4OS/c1-2-3(10)8-5(11-2)9-4(6)7/h2H,1H3,(H4,6,7,8,9,10)
InChIKeyPQBXTUPADJMVTO-UHFFFAOYSA-N
XLogP-0.72
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.72
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-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine?
The IUPAC name of 2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine (CID 18830431) is 2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine is CC1SC(N=C(N)N)=NC1=O.
What is the InChIKey of 2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine?
The InChIKey is PQBXTUPADJMVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-2-3(10)8-5(11-2)9-4(6)7/h2H,1H3,(H4,6,7,8,9,10).
What are the key properties of 2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine?
2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine has a molecular weight of 172.21 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-oxo-1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 18830431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).