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

C6H8Cl2N4O2S — CID 173395274

IUPAC2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride
SMILESCl.Nc1nc(CCON=CC(=O)Cl)ns1
InChIInChI=1S/C6H7ClN4O2S.ClH/c7-4(12)3-9-13-2-1-5-10-6(8)14-11-5;/h3H,1-2H2,(H2,8,10,11);1H
InChIKeyBQWRCNOYGARHGU-UHFFFAOYSA-N
MW271.13 g/mol
LogP0.85
Rot. Bonds5

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

2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride (PubChem CID 173395274) has the molecular formula C6H8Cl2N4O2S and a molecular weight of 271.13 g/mol. Its IUPAC name is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride.

Molecular Properties

Compound Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride
PubChem CID173395274
Molecular FormulaC6H8Cl2N4O2S
Molecular Weight271.13 g/mol
Exact Mass269.97
IUPAC Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride
SMILESCl.Nc1nc(CCON=CC(=O)Cl)ns1
InChIInChI=1S/C6H7ClN4O2S.ClH/c7-4(12)3-9-13-2-1-5-10-6(8)14-11-5;/h3H,1-2H2,(H2,8,10,11);1H
InChIKeyBQWRCNOYGARHGU-UHFFFAOYSA-N
XLogP0.85
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride?
The IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride (CID 173395274) is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride.
What is the SMILES notation for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride?
The canonical SMILES for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride is Cl.Nc1nc(CCON=CC(=O)Cl)ns1.
What is the InChIKey of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride?
The InChIKey is BQWRCNOYGARHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O2S.ClH/c7-4(12)3-9-13-2-1-5-10-6(8)14-11-5;/h3H,1-2H2,(H2,8,10,11);1H.
What are the key properties of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride?
2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride;hydrochloride has a molecular weight of 271.13 g/mol, XLogP of 0.85, 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;hydrochloride is sourced from PubChem (CID 173395274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).