2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide

C13H13N5O4S2 — CID 90978811

IUPAC2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide
SMILESCC(=O)c1ccccc1C(=O)C(=NNc1nc(C)ns1)S(N)(=O)=O
InChIInChI=1S/C13H13N5O4S2/c1-7(19)9-5-3-4-6-10(9)11(20)12(24(14,21)22)16-17-13-15-8(2)18-23-13/h3-6H,1-2H3,(H2,14,21,22)(H,15,17,18)
InChIKeyCEWXVDXXCHKXOG-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.95
Rot. Bonds5

About 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide

2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide (PubChem CID 90978811) has the molecular formula C13H13N5O4S2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide
PubChem CID90978811
Molecular FormulaC13H13N5O4S2
Molecular Weight367.41 g/mol
Exact Mass367.04
IUPAC Name2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide
SMILESCC(=O)c1ccccc1C(=O)C(=NNc1nc(C)ns1)S(N)(=O)=O
InChIInChI=1S/C13H13N5O4S2/c1-7(19)9-5-3-4-6-10(9)11(20)12(24(14,21)22)16-17-13-15-8(2)18-23-13/h3-6H,1-2H3,(H2,14,21,22)(H,15,17,18)
InChIKeyCEWXVDXXCHKXOG-UHFFFAOYSA-N
XLogP0.95
TPSA144.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide?
The IUPAC name of 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide (CID 90978811) is 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide.
What is the SMILES notation for 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide?
The canonical SMILES for 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide is CC(=O)c1ccccc1C(=O)C(=NNc1nc(C)ns1)S(N)(=O)=O.
What is the InChIKey of 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide?
The InChIKey is CEWXVDXXCHKXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4S2/c1-7(19)9-5-3-4-6-10(9)11(20)12(24(14,21)22)16-17-13-15-8(2)18-23-13/h3-6H,1-2H3,(H2,14,21,22)(H,15,17,18).
What are the key properties of 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide?
2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide has a molecular weight of 367.41 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxoethanesulfonamide is sourced from PubChem (CID 90978811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).