N'-aminothiadiazole-5-carboximidamide

C3H5N5S — CID 77060408

IUPACN'-aminothiadiazole-5-carboximidamide
SMILESNN=C(N)c1cnns1
InChIInChI=1S/C3H5N5S/c4-3(7-5)2-1-6-8-9-2/h1H,5H2,(H2,4,7)
InChIKeyCBNOZMVSHQCMEN-UHFFFAOYSA-N
MW143.18 g/mol
LogP-0.88
Rot. Bonds1

About N'-aminothiadiazole-5-carboximidamide

N'-aminothiadiazole-5-carboximidamide (PubChem CID 77060408) has the molecular formula C3H5N5S and a molecular weight of 143.18 g/mol. Its IUPAC name is N'-aminothiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-aminothiadiazole-5-carboximidamide
PubChem CID77060408
Molecular FormulaC3H5N5S
Molecular Weight143.18 g/mol
Exact Mass143.03
IUPAC NameN'-aminothiadiazole-5-carboximidamide
SMILESNN=C(N)c1cnns1
InChIInChI=1S/C3H5N5S/c4-3(7-5)2-1-6-8-9-2/h1H,5H2,(H2,4,7)
InChIKeyCBNOZMVSHQCMEN-UHFFFAOYSA-N
XLogP-0.88
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
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 N'-aminothiadiazole-5-carboximidamide?
The IUPAC name of N'-aminothiadiazole-5-carboximidamide (CID 77060408) is N'-aminothiadiazole-5-carboximidamide.
What is the SMILES notation for N'-aminothiadiazole-5-carboximidamide?
The canonical SMILES for N'-aminothiadiazole-5-carboximidamide is NN=C(N)c1cnns1.
What is the InChIKey of N'-aminothiadiazole-5-carboximidamide?
The InChIKey is CBNOZMVSHQCMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5S/c4-3(7-5)2-1-6-8-9-2/h1H,5H2,(H2,4,7).
What are the key properties of N'-aminothiadiazole-5-carboximidamide?
N'-aminothiadiazole-5-carboximidamide has a molecular weight of 143.18 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminothiadiazole-5-carboximidamide is sourced from PubChem (CID 77060408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).