(2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde

C6H7N3O2S — CID 173373412

IUPAC(2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde
SMILESCO/N=C(\C=O)c1nnc(C)s1
InChIInChI=1S/C6H7N3O2S/c1-4-7-8-6(12-4)5(3-10)9-11-2/h3H,1-2H3/b9-5+
InChIKeyWFEAKBCLWBLFOC-WEVVVXLNSA-N
MW185.21 g/mol
LogP0.40
Rot. Bonds3

About (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde

(2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde (PubChem CID 173373412) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name(2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde
PubChem CID173373412
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name(2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde
SMILESCO/N=C(\C=O)c1nnc(C)s1
InChIInChI=1S/C6H7N3O2S/c1-4-7-8-6(12-4)5(3-10)9-11-2/h3H,1-2H3/b9-5+
InChIKeyWFEAKBCLWBLFOC-WEVVVXLNSA-N
XLogP0.40
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde?
The IUPAC name of (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde (CID 173373412) is (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde.
What is the SMILES notation for (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde?
The canonical SMILES for (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde is CO/N=C(\C=O)c1nnc(C)s1.
What is the InChIKey of (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde?
The InChIKey is WFEAKBCLWBLFOC-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H7N3O2S/c1-4-7-8-6(12-4)5(3-10)9-11-2/h3H,1-2H3/b9-5+.
What are the key properties of (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde?
(2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde has a molecular weight of 185.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetaldehyde is sourced from PubChem (CID 173373412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).