2-[(4-methylthiadiazol-5-yl)methyl]guanidine

C5H9N5S — CID 130935246

IUPAC2-[(4-methylthiadiazol-5-yl)methyl]guanidine
SMILESCc1nnsc1CN=C(N)N
InChIInChI=1S/C5H9N5S/c1-3-4(11-10-9-3)2-8-5(6)7/h2H2,1H3,(H4,6,7,8)
InChIKeyZOQPKGAVDANDFA-UHFFFAOYSA-N
MW171.23 g/mol
LogP-0.38
Rot. Bonds2

About 2-[(4-methylthiadiazol-5-yl)methyl]guanidine

2-[(4-methylthiadiazol-5-yl)methyl]guanidine (PubChem CID 130935246) has the molecular formula C5H9N5S and a molecular weight of 171.23 g/mol. Its IUPAC name is 2-[(4-methylthiadiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(4-methylthiadiazol-5-yl)methyl]guanidine
PubChem CID130935246
Molecular FormulaC5H9N5S
Molecular Weight171.23 g/mol
Exact Mass171.06
IUPAC Name2-[(4-methylthiadiazol-5-yl)methyl]guanidine
SMILESCc1nnsc1CN=C(N)N
InChIInChI=1S/C5H9N5S/c1-3-4(11-10-9-3)2-8-5(6)7/h2H2,1H3,(H4,6,7,8)
InChIKeyZOQPKGAVDANDFA-UHFFFAOYSA-N
XLogP-0.38
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 5-0.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylthiadiazol-5-yl)methyl]guanidine?
The IUPAC name of 2-[(4-methylthiadiazol-5-yl)methyl]guanidine (CID 130935246) is 2-[(4-methylthiadiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 2-[(4-methylthiadiazol-5-yl)methyl]guanidine?
The canonical SMILES for 2-[(4-methylthiadiazol-5-yl)methyl]guanidine is Cc1nnsc1CN=C(N)N.
What is the InChIKey of 2-[(4-methylthiadiazol-5-yl)methyl]guanidine?
The InChIKey is ZOQPKGAVDANDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5S/c1-3-4(11-10-9-3)2-8-5(6)7/h2H2,1H3,(H4,6,7,8).
What are the key properties of 2-[(4-methylthiadiazol-5-yl)methyl]guanidine?
2-[(4-methylthiadiazol-5-yl)methyl]guanidine has a molecular weight of 171.23 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylthiadiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 130935246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).