(1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide

C13H15N5O3S2 — CID 89104145

IUPAC(1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide
SMILESCc1nsc(N/N=C(/C(=O)c2ccccc2)S(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H15N5O3S2/c1-9-14-13(22-17-9)16-15-12(23(20,21)18(2)3)11(19)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,16,17)/b15-12-
InChIKeyADYOBTYAMMFBLD-QINSGFPZSA-N
MW353.43 g/mol
LogP1.35
Rot. Bonds5

About (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide

(1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide (PubChem CID 89104145) has the molecular formula C13H15N5O3S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide.

Molecular Properties

Compound Name(1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide
PubChem CID89104145
Molecular FormulaC13H15N5O3S2
Molecular Weight353.43 g/mol
Exact Mass353.06
IUPAC Name(1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide
SMILESCc1nsc(N/N=C(/C(=O)c2ccccc2)S(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H15N5O3S2/c1-9-14-13(22-17-9)16-15-12(23(20,21)18(2)3)11(19)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,16,17)/b15-12-
InChIKeyADYOBTYAMMFBLD-QINSGFPZSA-N
XLogP1.35
TPSA104.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide?
The IUPAC name of (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide (CID 89104145) is (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide.
What is the SMILES notation for (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide?
The canonical SMILES for (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide is Cc1nsc(N/N=C(/C(=O)c2ccccc2)S(=O)(=O)N(C)C)n1.
What is the InChIKey of (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide?
The InChIKey is ADYOBTYAMMFBLD-QINSGFPZSA-N. The full InChI is InChI=1S/C13H15N5O3S2/c1-9-14-13(22-17-9)16-15-12(23(20,21)18(2)3)11(19)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,16,17)/b15-12-.
What are the key properties of (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide?
(1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide has a molecular weight of 353.43 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-2-oxo-2-phenylethanesulfonamide is sourced from PubChem (CID 89104145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).