ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate

C8H11N3O3S — CID 12889177

IUPACethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate
SMILESCCOC(=O)/C(=N/OC)c1nnc(C)s1
InChIInChI=1S/C8H11N3O3S/c1-4-14-8(12)6(11-13-3)7-10-9-5(2)15-7/h4H2,1-3H3/b11-6+
InChIKeyLRMLIANSIYEGAN-IZZDOVSWSA-N
MW229.26 g/mol
LogP0.76
Rot. Bonds4

About ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate

ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate (PubChem CID 12889177) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate
PubChem CID12889177
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Nameethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate
SMILESCCOC(=O)/C(=N/OC)c1nnc(C)s1
InChIInChI=1S/C8H11N3O3S/c1-4-14-8(12)6(11-13-3)7-10-9-5(2)15-7/h4H2,1-3H3/b11-6+
InChIKeyLRMLIANSIYEGAN-IZZDOVSWSA-N
XLogP0.76
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate?
The IUPAC name of ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate (CID 12889177) is ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate.
What is the SMILES notation for ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate?
The canonical SMILES for ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate is CCOC(=O)/C(=N/OC)c1nnc(C)s1.
What is the InChIKey of ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate?
The InChIKey is LRMLIANSIYEGAN-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-4-14-8(12)6(11-13-3)7-10-9-5(2)15-7/h4H2,1-3H3/b11-6+.
What are the key properties of ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate?
ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate has a molecular weight of 229.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate is sourced from PubChem (CID 12889177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).