2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine

C7H8N6OS — CID 13351803

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESCc1noc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C7H8N6OS/c1-3-10-5(14-13-3)4-2-15-7(11-4)12-6(8)9/h2H,1H3,(H4,8,9,11,12)
InChIKeyUFSIOBJRVPONGD-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.41
Rot. Bonds2

About 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 13351803) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID13351803
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESCc1noc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C7H8N6OS/c1-3-10-5(14-13-3)4-2-15-7(11-4)12-6(8)9/h2H,1H3,(H4,8,9,11,12)
InChIKeyUFSIOBJRVPONGD-UHFFFAOYSA-N
XLogP0.41
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine (CID 13351803) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine is Cc1noc(-c2csc(N=C(N)N)n2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is UFSIOBJRVPONGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c1-3-10-5(14-13-3)4-2-15-7(11-4)12-6(8)9/h2H,1H3,(H4,8,9,11,12).
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 224.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 13351803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).