thiadiazole-5-carboximidamide

C3H4N4S — CID 20530866

IUPACthiadiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnns1
InChIInChI=1S/C3H4N4S/c4-3(5)2-1-6-7-8-2/h1H,(H3,4,5)
InChIKeyDXWFMEYOGROUIO-UHFFFAOYSA-N
MW128.16 g/mol
LogP-0.18
Rot. Bonds1

About thiadiazole-5-carboximidamide

thiadiazole-5-carboximidamide (PubChem CID 20530866) has the molecular formula C3H4N4S and a molecular weight of 128.16 g/mol. Its IUPAC name is thiadiazole-5-carboximidamide.

Molecular Properties

Compound Namethiadiazole-5-carboximidamide
PubChem CID20530866
Molecular FormulaC3H4N4S
Molecular Weight128.16 g/mol
Exact Mass128.02
IUPAC Namethiadiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnns1
InChIInChI=1S/C3H4N4S/c4-3(5)2-1-6-7-8-2/h1H,(H3,4,5)
InChIKeyDXWFMEYOGROUIO-UHFFFAOYSA-N
XLogP-0.18
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.16
LogP ≤ 5-0.18
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 thiadiazole-5-carboximidamide?
The IUPAC name of thiadiazole-5-carboximidamide (CID 20530866) is thiadiazole-5-carboximidamide.
What is the SMILES notation for thiadiazole-5-carboximidamide?
The canonical SMILES for thiadiazole-5-carboximidamide is [H]/N=C(\N)c1cnns1.
What is the InChIKey of thiadiazole-5-carboximidamide?
The InChIKey is DXWFMEYOGROUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4S/c4-3(5)2-1-6-7-8-2/h1H,(H3,4,5).
What are the key properties of thiadiazole-5-carboximidamide?
thiadiazole-5-carboximidamide has a molecular weight of 128.16 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole-5-carboximidamide is sourced from PubChem (CID 20530866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).