(3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide

C5H5N5OS — CID 13069152

IUPAC(3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
SMILESCO/N=C(\C#N)c1nsc(N)n1
InChIInChI=1S/C5H5N5OS/c1-11-9-3(2-6)4-8-5(7)12-10-4/h1H3,(H2,7,8,10)/b9-3+
InChIKeyQUDFYUOLFVZVQB-YCRREMRBSA-N
MW183.20 g/mol
LogP-0.01
Rot. Bonds2

About (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide

(3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide (PubChem CID 13069152) has the molecular formula C5H5N5OS and a molecular weight of 183.20 g/mol. Its IUPAC name is (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide.

Molecular Properties

Compound Name(3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
PubChem CID13069152
Molecular FormulaC5H5N5OS
Molecular Weight183.20 g/mol
Exact Mass183.02
IUPAC Name(3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
SMILESCO/N=C(\C#N)c1nsc(N)n1
InChIInChI=1S/C5H5N5OS/c1-11-9-3(2-6)4-8-5(7)12-10-4/h1H3,(H2,7,8,10)/b9-3+
InChIKeyQUDFYUOLFVZVQB-YCRREMRBSA-N
XLogP-0.01
TPSA97.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 5-0.01
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 (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The IUPAC name of (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide (CID 13069152) is (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide.
What is the SMILES notation for (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The canonical SMILES for (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide is CO/N=C(\C#N)c1nsc(N)n1.
What is the InChIKey of (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The InChIKey is QUDFYUOLFVZVQB-YCRREMRBSA-N. The full InChI is InChI=1S/C5H5N5OS/c1-11-9-3(2-6)4-8-5(7)12-10-4/h1H3,(H2,7,8,10)/b9-3+.
What are the key properties of (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide?
(3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide has a molecular weight of 183.20 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide is sourced from PubChem (CID 13069152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).