(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide

C4H5N4O3S2- — CID 24906315

IUPAC(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
SMILESCC(=O)Nc1nnc(S([NH-])(=O)=O)s1
InChIInChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H3,5,6,7,9,10,11)/p-1
InChIKeyPPCFSEIOYQJRDN-UHFFFAOYSA-M
MW221.24 g/mol
LogP0.24
Rot. Bonds2

About (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide

(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide (PubChem CID 24906315) has the molecular formula C4H5N4O3S2- and a molecular weight of 221.24 g/mol. Its IUPAC name is (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide.

Molecular Properties

Compound Name(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
PubChem CID24906315
Molecular FormulaC4H5N4O3S2-
Molecular Weight221.24 g/mol
Exact Mass220.98
IUPAC Name(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
SMILESCC(=O)Nc1nnc(S([NH-])(=O)=O)s1
InChIInChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H3,5,6,7,9,10,11)/p-1
InChIKeyPPCFSEIOYQJRDN-UHFFFAOYSA-M
XLogP0.24
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)ethanimidate
CID 159960480
N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56919403
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801
N-[5-[4-(2-oxopropyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110665646
N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 113383322
N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110300325
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110417348
N-[5-(1,3-oxazinan-3-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110739746
N-[5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107866792
N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 125060441
N-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110308658

Frequently Asked Questions

What is the IUPAC name of (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide?
The IUPAC name of (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide (CID 24906315) is (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide.
What is the SMILES notation for (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide?
The canonical SMILES for (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide is CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.
What is the InChIKey of (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide?
The InChIKey is PPCFSEIOYQJRDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H3,5,6,7,9,10,11)/p-1.
What are the key properties of (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide?
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide has a molecular weight of 221.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide is sourced from PubChem (CID 24906315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).