(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde

C6H7FN4O2S — CID 173353544

IUPAC(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde
SMILESNc1nc(/C(C=O)=N\OCCF)ns1
InChIInChI=1S/C6H7FN4O2S/c7-1-2-13-10-4(3-12)5-9-6(8)14-11-5/h3H,1-2H2,(H2,8,9,11)/b10-4-
InChIKeyVEOGQQNFTBSOTR-WMZJFQQLSA-N
MW218.21 g/mol
LogP0.01
Rot. Bonds5

About (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde

(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde (PubChem CID 173353544) has the molecular formula C6H7FN4O2S and a molecular weight of 218.21 g/mol. Its IUPAC name is (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde.

Molecular Properties

Compound Name(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde
PubChem CID173353544
Molecular FormulaC6H7FN4O2S
Molecular Weight218.21 g/mol
Exact Mass218.03
IUPAC Name(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde
SMILESNc1nc(/C(C=O)=N\OCCF)ns1
InChIInChI=1S/C6H7FN4O2S/c7-1-2-13-10-4(3-12)5-9-6(8)14-11-5/h3H,1-2H2,(H2,8,9,11)/b10-4-
InChIKeyVEOGQQNFTBSOTR-WMZJFQQLSA-N
XLogP0.01
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde?
The IUPAC name of (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde (CID 173353544) is (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde.
What is the SMILES notation for (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde?
The canonical SMILES for (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde is Nc1nc(/C(C=O)=N\OCCF)ns1.
What is the InChIKey of (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde?
The InChIKey is VEOGQQNFTBSOTR-WMZJFQQLSA-N. The full InChI is InChI=1S/C6H7FN4O2S/c7-1-2-13-10-4(3-12)5-9-6(8)14-11-5/h3H,1-2H2,(H2,8,9,11)/b10-4-.
What are the key properties of (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde?
(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde has a molecular weight of 218.21 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde is sourced from PubChem (CID 173353544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).