1-amino-2-(thiadiazol-5-ylmethyl)guanidine

C4H8N6S — CID 130917248

IUPAC1-amino-2-(thiadiazol-5-ylmethyl)guanidine
SMILESNN/C(N)=N/Cc1cnns1
InChIInChI=1S/C4H8N6S/c5-4(9-6)7-1-3-2-8-10-11-3/h2H,1,6H2,(H3,5,7,9)
InChIKeyKLCBRTUMESQVQA-UHFFFAOYSA-N
MW172.22 g/mol
LogP-1.18
Rot. Bonds2

About 1-amino-2-(thiadiazol-5-ylmethyl)guanidine

1-amino-2-(thiadiazol-5-ylmethyl)guanidine (PubChem CID 130917248) has the molecular formula C4H8N6S and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-amino-2-(thiadiazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(thiadiazol-5-ylmethyl)guanidine
PubChem CID130917248
Molecular FormulaC4H8N6S
Molecular Weight172.22 g/mol
Exact Mass172.05
IUPAC Name1-amino-2-(thiadiazol-5-ylmethyl)guanidine
SMILESNN/C(N)=N/Cc1cnns1
InChIInChI=1S/C4H8N6S/c5-4(9-6)7-1-3-2-8-10-11-3/h2H,1,6H2,(H3,5,7,9)
InChIKeyKLCBRTUMESQVQA-UHFFFAOYSA-N
XLogP-1.18
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(thiadiazol-5-ylmethyl)guanidine?
The IUPAC name of 1-amino-2-(thiadiazol-5-ylmethyl)guanidine (CID 130917248) is 1-amino-2-(thiadiazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-2-(thiadiazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-amino-2-(thiadiazol-5-ylmethyl)guanidine is NN/C(N)=N/Cc1cnns1.
What is the InChIKey of 1-amino-2-(thiadiazol-5-ylmethyl)guanidine?
The InChIKey is KLCBRTUMESQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6S/c5-4(9-6)7-1-3-2-8-10-11-3/h2H,1,6H2,(H3,5,7,9).
What are the key properties of 1-amino-2-(thiadiazol-5-ylmethyl)guanidine?
1-amino-2-(thiadiazol-5-ylmethyl)guanidine has a molecular weight of 172.22 g/mol, XLogP of -1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(thiadiazol-5-ylmethyl)guanidine is sourced from PubChem (CID 130917248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).