methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate

C7H10N4O3S — CID 19076690

IUPACmethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate
SMILESCCO/N=C(\C(=O)OC)c1nsc(N)n1
InChIInChI=1S/C7H10N4O3S/c1-3-14-10-4(6(12)13-2)5-9-7(8)15-11-5/h3H2,1-2H3,(H2,8,9,11)/b10-4-
InChIKeyDWEASSQNTWRLKE-WMZJFQQLSA-N
MW230.25 g/mol
LogP0.03
Rot. Bonds4

About methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate

methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate (PubChem CID 19076690) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate
PubChem CID19076690
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Namemethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate
SMILESCCO/N=C(\C(=O)OC)c1nsc(N)n1
InChIInChI=1S/C7H10N4O3S/c1-3-14-10-4(6(12)13-2)5-9-7(8)15-11-5/h3H2,1-2H3,(H2,8,9,11)/b10-4-
InChIKeyDWEASSQNTWRLKE-WMZJFQQLSA-N
XLogP0.03
TPSA99.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate?
The IUPAC name of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate (CID 19076690) is methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate.
What is the SMILES notation for methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate?
The canonical SMILES for methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate is CCO/N=C(\C(=O)OC)c1nsc(N)n1.
What is the InChIKey of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate?
The InChIKey is DWEASSQNTWRLKE-WMZJFQQLSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-3-14-10-4(6(12)13-2)5-9-7(8)15-11-5/h3H2,1-2H3,(H2,8,9,11)/b10-4-.
What are the key properties of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate?
methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate has a molecular weight of 230.25 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetate is sourced from PubChem (CID 19076690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).