(2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate

C12H11N4O3S- — CID 135726791

IUPAC(2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate
SMILESCO/N=C(\C(=O)[O-])C1=NN/C(=N/c2ccccc2)SC1
InChIInChI=1S/C12H12N4O3S/c1-19-16-10(11(17)18)9-7-20-12(15-14-9)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,15)(H,17,18)/p-1/b16-10-
InChIKeyUZWLVLNXOOFWOM-YBEGLDIGSA-M
MW291.31 g/mol
LogP0.12
Rot. Bonds4

About (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate

(2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate (PubChem CID 135726791) has the molecular formula C12H11N4O3S- and a molecular weight of 291.31 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate
PubChem CID135726791
Molecular FormulaC12H11N4O3S-
Molecular Weight291.31 g/mol
Exact Mass291.06
IUPAC Name(2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate
SMILESCO/N=C(\C(=O)[O-])C1=NN/C(=N/c2ccccc2)SC1
InChIInChI=1S/C12H12N4O3S/c1-19-16-10(11(17)18)9-7-20-12(15-14-9)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,15)(H,17,18)/p-1/b16-10-
InChIKeyUZWLVLNXOOFWOM-YBEGLDIGSA-M
XLogP0.12
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_L(1)', '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 (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate?
The IUPAC name of (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate (CID 135726791) is (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate.
What is the SMILES notation for (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate?
The canonical SMILES for (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate is CO/N=C(\C(=O)[O-])C1=NN/C(=N/c2ccccc2)SC1.
What is the InChIKey of (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate?
The InChIKey is UZWLVLNXOOFWOM-YBEGLDIGSA-M. The full InChI is InChI=1S/C12H12N4O3S/c1-19-16-10(11(17)18)9-7-20-12(15-14-9)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,15)(H,17,18)/p-1/b16-10-.
What are the key properties of (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate?
(2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate has a molecular weight of 291.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-2-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)acetate is sourced from PubChem (CID 135726791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).