2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine

C8H13N5S — CID 139573609

IUPAC2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine
SMILESCc1nnc(C2(N=C(N)N)CCC2)s1
InChIInChI=1S/C8H13N5S/c1-5-12-13-6(14-5)8(3-2-4-8)11-7(9)10/h2-4H2,1H3,(H4,9,10,11)
InChIKeyUGSJVWGMAUYTGH-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.50
Rot. Bonds2

About 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine

2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine (PubChem CID 139573609) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine.

Molecular Properties

Compound Name2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine
PubChem CID139573609
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine
SMILESCc1nnc(C2(N=C(N)N)CCC2)s1
InChIInChI=1S/C8H13N5S/c1-5-12-13-6(14-5)8(3-2-4-8)11-7(9)10/h2-4H2,1H3,(H4,9,10,11)
InChIKeyUGSJVWGMAUYTGH-UHFFFAOYSA-N
XLogP0.50
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 130545567
2-[1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine
CID 156060785

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine?
The IUPAC name of 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine (CID 139573609) is 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine.
What is the SMILES notation for 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine?
The canonical SMILES for 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine is Cc1nnc(C2(N=C(N)N)CCC2)s1.
What is the InChIKey of 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine?
The InChIKey is UGSJVWGMAUYTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c1-5-12-13-6(14-5)8(3-2-4-8)11-7(9)10/h2-4H2,1H3,(H4,9,10,11).
What are the key properties of 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine?
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine has a molecular weight of 211.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine is sourced from PubChem (CID 139573609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).