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

C6H9N5O2S — CID 173408324

IUPAC2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide
SMILESNC(=O)C=NOCCc1nsc(N)n1
InChIInChI=1S/C6H9N5O2S/c7-4(12)3-9-13-2-1-5-10-6(8)14-11-5/h3H,1-2H2,(H2,7,12)(H2,8,10,11)
InChIKeyNSDBXPCDFOCGLR-UHFFFAOYSA-N
MW215.24 g/mol
LogP-0.85
Rot. Bonds5

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

2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide (PubChem CID 173408324) has the molecular formula C6H9N5O2S and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide.

Molecular Properties

Compound Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide
PubChem CID173408324
Molecular FormulaC6H9N5O2S
Molecular Weight215.24 g/mol
Exact Mass215.05
IUPAC Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide
SMILESNC(=O)C=NOCCc1nsc(N)n1
InChIInChI=1S/C6H9N5O2S/c7-4(12)3-9-13-2-1-5-10-6(8)14-11-5/h3H,1-2H2,(H2,7,12)(H2,8,10,11)
InChIKeyNSDBXPCDFOCGLR-UHFFFAOYSA-N
XLogP-0.85
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-fluoroethoxy]iminoacetyl chloride
CID 54133054
(2Z)-2-[(5-amino-1,2,4-thiadiazol-3-yl)-fluoromethoxy]iminoacetamide
CID 140358437
(2Z)-2-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-fluoroethoxy]iminoacetyl chloride
CID 88259992
2-[2-(5-Amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid
CID 54066716
(2E)-2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid
CID 88514229
(2Z)-2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid
CID 88514230
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]acetonitrile
CID 173408378
2-[2-(5-Amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride
CID 173395275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide?
The IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide (CID 173408324) is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide.
What is the SMILES notation for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide?
The canonical SMILES for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide is NC(=O)C=NOCCc1nsc(N)n1.
What is the InChIKey of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide?
The InChIKey is NSDBXPCDFOCGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2S/c7-4(12)3-9-13-2-1-5-10-6(8)14-11-5/h3H,1-2H2,(H2,7,12)(H2,8,10,11).
What are the key properties of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide?
2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetamide has a molecular weight of 215.24 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 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]acetamide is sourced from PubChem (CID 173408324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).