2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride

C6H7ClN4O2S — CID 173395275

IUPAC2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride
SMILESNc1nc(CCON=CC(=O)Cl)ns1
InChIInChI=1S/C6H7ClN4O2S/c7-4(12)3-9-13-2-1-5-10-6(8)14-11-5/h3H,1-2H2,(H2,8,10,11)
InChIKeyCXIWXSUARQXVDD-UHFFFAOYSA-N
MW234.67 g/mol
LogP0.43
Rot. Bonds5

About 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride

2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride (PubChem CID 173395275) has the molecular formula C6H7ClN4O2S and a molecular weight of 234.67 g/mol. Its IUPAC name is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride.

Molecular Properties

Compound Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride
PubChem CID173395275
Molecular FormulaC6H7ClN4O2S
Molecular Weight234.67 g/mol
Exact Mass234.00
IUPAC Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride
SMILESNc1nc(CCON=CC(=O)Cl)ns1
InChIInChI=1S/C6H7ClN4O2S/c7-4(12)3-9-13-2-1-5-10-6(8)14-11-5/h3H,1-2H2,(H2,8,10,11)
InChIKeyCXIWXSUARQXVDD-UHFFFAOYSA-N
XLogP0.43
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.67
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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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Related Compounds

2-[1-(5-Amino-1,2,4-thiadiazol-3-yl)-2-fluoroethoxy]iminoacetyl chloride
CID 53653018
2-[1-(5-Amino-1,2,4-thiadiazol-3-yl)-1-fluoroethoxy]iminoacetyl chloride
CID 53810002
2-[2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-fluoroethoxy]iminoacetyl chloride
CID 54133054
(2Z)-2-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-fluoroethoxy]iminoacetyl chloride
CID 88259992
(2Z)-2-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-fluoroethoxy]iminoacetyl chloride;hydrochloride
CID 88259991
2-[2-(5-Amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride
CID 173395274
2-[2-(5-Amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide
CID 173408324
2-[2-(5-Amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile
CID 173408378

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride?
The IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride (CID 173395275) is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride.
What is the SMILES notation for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride?
The canonical SMILES for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride is Nc1nc(CCON=CC(=O)Cl)ns1.
What is the InChIKey of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride?
The InChIKey is CXIWXSUARQXVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O2S/c7-4(12)3-9-13-2-1-5-10-6(8)14-11-5/h3H,1-2H2,(H2,8,10,11).
What are the key properties of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride?
2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride has a molecular weight of 234.67 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride is sourced from PubChem (CID 173395275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).