N-amino-N'-ethylthiadiazole-5-carboximidamide

C5H9N5S — CID 65214945

IUPACN-amino-N'-ethylthiadiazole-5-carboximidamide
SMILESCC/N=C(\NN)c1cnns1
InChIInChI=1S/C5H9N5S/c1-2-7-5(9-6)4-3-8-10-11-4/h3H,2,6H2,1H3,(H,7,9)
InChIKeyFHKCBDWLRALLIR-UHFFFAOYSA-N
MW171.23 g/mol
LogP-0.23
Rot. Bonds2

About N-amino-N'-ethylthiadiazole-5-carboximidamide

N-amino-N'-ethylthiadiazole-5-carboximidamide (PubChem CID 65214945) has the molecular formula C5H9N5S and a molecular weight of 171.23 g/mol. Its IUPAC name is N-amino-N'-ethylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethylthiadiazole-5-carboximidamide
PubChem CID65214945
Molecular FormulaC5H9N5S
Molecular Weight171.23 g/mol
Exact Mass171.06
IUPAC NameN-amino-N'-ethylthiadiazole-5-carboximidamide
SMILESCC/N=C(\NN)c1cnns1
InChIInChI=1S/C5H9N5S/c1-2-7-5(9-6)4-3-8-10-11-4/h3H,2,6H2,1H3,(H,7,9)
InChIKeyFHKCBDWLRALLIR-UHFFFAOYSA-N
XLogP-0.23
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 5-0.23
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-amino-N'-ethylthiadiazole-5-carboximidamide?
The IUPAC name of N-amino-N'-ethylthiadiazole-5-carboximidamide (CID 65214945) is N-amino-N'-ethylthiadiazole-5-carboximidamide.
What is the SMILES notation for N-amino-N'-ethylthiadiazole-5-carboximidamide?
The canonical SMILES for N-amino-N'-ethylthiadiazole-5-carboximidamide is CC/N=C(\NN)c1cnns1.
What is the InChIKey of N-amino-N'-ethylthiadiazole-5-carboximidamide?
The InChIKey is FHKCBDWLRALLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5S/c1-2-7-5(9-6)4-3-8-10-11-4/h3H,2,6H2,1H3,(H,7,9).
What are the key properties of N-amino-N'-ethylthiadiazole-5-carboximidamide?
N-amino-N'-ethylthiadiazole-5-carboximidamide has a molecular weight of 171.23 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethylthiadiazole-5-carboximidamide is sourced from PubChem (CID 65214945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).