5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide

C6H7N5OS — CID 54079871

IUPAC5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
SMILESCCON=C(C#N)c1nsc(N)n1
InChIInChI=1S/C6H7N5OS/c1-2-12-10-4(3-7)5-9-6(8)13-11-5/h2H2,1H3,(H2,8,9,11)
InChIKeyMMIKKDRJUBPJNK-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.38
Rot. Bonds3

About 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide

5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide (PubChem CID 54079871) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide.

Molecular Properties

Compound Name5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
PubChem CID54079871
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
SMILESCCON=C(C#N)c1nsc(N)n1
InChIInChI=1S/C6H7N5OS/c1-2-12-10-4(3-7)5-9-6(8)13-11-5/h2H2,1H3,(H2,8,9,11)
InChIKeyMMIKKDRJUBPJNK-UHFFFAOYSA-N
XLogP0.38
TPSA97.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The IUPAC name of 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide (CID 54079871) is 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide.
What is the SMILES notation for 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The canonical SMILES for 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide is CCON=C(C#N)c1nsc(N)n1.
What is the InChIKey of 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The InChIKey is MMIKKDRJUBPJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c1-2-12-10-4(3-7)5-9-6(8)13-11-5/h2H2,1H3,(H2,8,9,11).
What are the key properties of 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide?
5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide has a molecular weight of 197.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide is sourced from PubChem (CID 54079871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).