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

C5H4FN5OS — CID 14620477

IUPAC(3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
SMILESN#C/C(=N\OCF)c1nsc(N)n1
InChIInChI=1S/C5H4FN5OS/c6-2-12-10-3(1-7)4-9-5(8)13-11-4/h2H2,(H2,8,9,11)/b10-3+
InChIKeyUKRGAZYTILRTKN-XCVCLJGOSA-N
MW201.19 g/mol
LogP0.29
Rot. Bonds3

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

(3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide (PubChem CID 14620477) has the molecular formula C5H4FN5OS and a molecular weight of 201.19 g/mol. Its IUPAC name is (3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide.

Molecular Properties

Compound Name(3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
PubChem CID14620477
Molecular FormulaC5H4FN5OS
Molecular Weight201.19 g/mol
Exact Mass201.01
IUPAC Name(3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
SMILESN#C/C(=N\OCF)c1nsc(N)n1
InChIInChI=1S/C5H4FN5OS/c6-2-12-10-3(1-7)4-9-5(8)13-11-4/h2H2,(H2,8,9,11)/b10-3+
InChIKeyUKRGAZYTILRTKN-XCVCLJGOSA-N
XLogP0.29
TPSA97.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.29
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-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The IUPAC name of (3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide (CID 14620477) is (3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide.
What is the SMILES notation for (3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The canonical SMILES for (3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide is N#C/C(=N\OCF)c1nsc(N)n1.
What is the InChIKey of (3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The InChIKey is UKRGAZYTILRTKN-XCVCLJGOSA-N. The full InChI is InChI=1S/C5H4FN5OS/c6-2-12-10-3(1-7)4-9-5(8)13-11-4/h2H2,(H2,8,9,11)/b10-3+.
What are the key properties of (3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide?
(3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide has a molecular weight of 201.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide is sourced from PubChem (CID 14620477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).